[(1R)-1-(2-chlorophenyl)ethyl] N-[4-[5-(methoxymethoxy)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate

C21H23ClN4O4 — CID 175909953

IUPAC[(1R)-1-(2-chlorophenyl)ethyl] N-[4-[5-(methoxymethoxy)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate
SMILESCOCOc1ccc(-c2cnn(C)c2NC(=O)O[C@H](C)c2ccccc2Cl)nc1C
InChIInChI=1S/C21H23ClN4O4/c1-13-19(29-12-28-4)10-9-18(24-13)16-11-23-26(3)20(16)25-21(27)30-14(2)15-7-5-6-8-17(15)22/h5-11,14H,12H2,1-4H3,(H,25,27)/t14-/m1/s1
InChIKeyJKJKGKUGLZUDCZ-CQSZACIVSA-N
MW430.89 g/mol
LogP4.74
Rot. Bonds7

About [(1R)-1-(2-chlorophenyl)ethyl] N-[4-[5-(methoxymethoxy)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate

[(1R)-1-(2-chlorophenyl)ethyl] N-[4-[5-(methoxymethoxy)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate (PubChem CID 175909953) has the molecular formula C21H23ClN4O4 and a molecular weight of 430.89 g/mol. Its IUPAC name is [(1R)-1-(2-chlorophenyl)ethyl] N-[4-[5-(methoxymethoxy)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate.

Molecular Properties

Compound Name[(1R)-1-(2-chlorophenyl)ethyl] N-[4-[5-(methoxymethoxy)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate
PubChem CID175909953
Molecular FormulaC21H23ClN4O4
Molecular Weight430.89 g/mol
Exact Mass430.14
IUPAC Name[(1R)-1-(2-chlorophenyl)ethyl] N-[4-[5-(methoxymethoxy)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate
SMILESCOCOc1ccc(-c2cnn(C)c2NC(=O)O[C@H](C)c2ccccc2Cl)nc1C
InChIInChI=1S/C21H23ClN4O4/c1-13-19(29-12-28-4)10-9-18(24-13)16-11-23-26(3)20(16)25-21(27)30-14(2)15-7-5-6-8-17(15)22/h5-11,14H,12H2,1-4H3,(H,25,27)/t14-/m1/s1
InChIKeyJKJKGKUGLZUDCZ-CQSZACIVSA-N
XLogP4.74
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.89
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [(1R)-1-(2-chlorophenyl)ethyl] N-[4-[5-(methoxymethoxy)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R)-1-(2-chlorophenyl)ethyl] N-[1-(4-bromophenyl)-4-chloropyrazol-5-yl]carbamate
CID 153378753
methyl 1-[4-[2-chloro-4-[5-[1-(2-chlorophenyl)ethoxycarbonylamino]-1-methylpyrazol-4-yl]-5-fluorophenyl]phenyl]cyclopropane-1-carboxylate
CID 78057898
2-[4-[4-[5-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1-methylpyrazol-4-yl]phenyl]-2-oxabicyclo[2.2.2]octan-1-yl]acetic acid
CID 146936803
1-(2-fluorophenyl)ethyl N-[1-methyl-4-(4-phenylphenyl)pyrazol-5-yl]carbamate
CID 141384399
2-[4-[4-[5-[1-[4-[5-[4-(carboxymethyl)phenyl]-2-[5-[1-(2-chlorophenyl)ethoxycarbonylamino]-1-methylpyrazol-4-yl]phenyl]-2-chlorophenyl]ethoxycarbonylamino]-4-methyltriazol-1-yl]phenyl]phenyl]acetic acid
CID 123354794
[(1R)-1-(3-fluorophenyl)ethyl] N-[4-(5-amino-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]carbamate;methyl N-[6-[5-[[(1R)-1-(3-fluorophenyl)ethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamate;hydrochloride
CID 167598561
ethyl 2-chloro-5-[1-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]pyrazol-4-yl]benzoate
CID 70856237
[(1R)-1-(2-chlorophenyl)ethyl] N-[1-(4-cyanophenyl)-4-methylpyrazol-5-yl]carbamate
CID 90428534
ethyl 1-[1-[5-[1-(2-chlorophenyl)ethoxycarbonylamino]-1-methylpyrazol-4-yl]-4-phenylcyclohexa-2,4-dien-1-yl]cyclopropane-1-carboxylate
CID 154192215
methyl 6-[5-[[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]carbonylamino]-1-methyltriazol-4-yl]-2-methylpyridine-3-carboxylate
CID 166130396
tert-butyl N-[6-[5-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1-methyltriazol-4-yl]-3-pyridinyl]carbamate
CID 162377995
methyl 1-[4-[6-[1-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]pyrazol-4-yl]-3-pyridinyl]phenyl]cyclopropane-1-carboxylate
CID 70819364

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl] N-[4-[5-(methoxymethoxy)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate?
The IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl] N-[4-[5-(methoxymethoxy)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate (CID 175909953) is [(1R)-1-(2-chlorophenyl)ethyl] N-[4-[5-(methoxymethoxy)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate.
What is the SMILES notation for [(1R)-1-(2-chlorophenyl)ethyl] N-[4-[5-(methoxymethoxy)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate?
The canonical SMILES for [(1R)-1-(2-chlorophenyl)ethyl] N-[4-[5-(methoxymethoxy)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate is COCOc1ccc(-c2cnn(C)c2NC(=O)O[C@H](C)c2ccccc2Cl)nc1C.
What is the InChIKey of [(1R)-1-(2-chlorophenyl)ethyl] N-[4-[5-(methoxymethoxy)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate?
The InChIKey is JKJKGKUGLZUDCZ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23ClN4O4/c1-13-19(29-12-28-4)10-9-18(24-13)16-11-23-26(3)20(16)25-21(27)30-14(2)15-7-5-6-8-17(15)22/h5-11,14H,12H2,1-4H3,(H,25,27)/t14-/m1/s1.
What are the key properties of [(1R)-1-(2-chlorophenyl)ethyl] N-[4-[5-(methoxymethoxy)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate?
[(1R)-1-(2-chlorophenyl)ethyl] N-[4-[5-(methoxymethoxy)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate has a molecular weight of 430.89 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-chlorophenyl)ethyl] N-[4-[5-(methoxymethoxy)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate is sourced from PubChem (CID 175909953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).