[(1R)-1-(2-chlorophenyl)ethyl] N-[1-(4-cyanophenyl)-4-methylpyrazol-5-yl]carbamate

C20H17ClN4O2 — CID 90428534

IUPAC[(1R)-1-(2-chlorophenyl)ethyl] N-[1-(4-cyanophenyl)-4-methylpyrazol-5-yl]carbamate
SMILESCc1cnn(-c2ccc(C#N)cc2)c1NC(=O)O[C@H](C)c1ccccc1Cl
InChIInChI=1S/C20H17ClN4O2/c1-13-12-23-25(16-9-7-15(11-22)8-10-16)19(13)24-20(26)27-14(2)17-5-3-4-6-18(17)21/h3-10,12,14H,1-2H3,(H,24,26)/t14-/m1/s1
InChIKeyOJUKOLDXTCBRHK-CQSZACIVSA-N
MW380.84 g/mol
LogP5.02
Rot. Bonds4

About [(1R)-1-(2-chlorophenyl)ethyl] N-[1-(4-cyanophenyl)-4-methylpyrazol-5-yl]carbamate

[(1R)-1-(2-chlorophenyl)ethyl] N-[1-(4-cyanophenyl)-4-methylpyrazol-5-yl]carbamate (PubChem CID 90428534) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is [(1R)-1-(2-chlorophenyl)ethyl] N-[1-(4-cyanophenyl)-4-methylpyrazol-5-yl]carbamate.

Molecular Properties

Compound Name[(1R)-1-(2-chlorophenyl)ethyl] N-[1-(4-cyanophenyl)-4-methylpyrazol-5-yl]carbamate
PubChem CID90428534
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name[(1R)-1-(2-chlorophenyl)ethyl] N-[1-(4-cyanophenyl)-4-methylpyrazol-5-yl]carbamate
SMILESCc1cnn(-c2ccc(C#N)cc2)c1NC(=O)O[C@H](C)c1ccccc1Cl
InChIInChI=1S/C20H17ClN4O2/c1-13-12-23-25(16-9-7-15(11-22)8-10-16)19(13)24-20(26)27-14(2)17-5-3-4-6-18(17)21/h3-10,12,14H,1-2H3,(H,24,26)/t14-/m1/s1
InChIKeyOJUKOLDXTCBRHK-CQSZACIVSA-N
XLogP5.02
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.84
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1R)-1-(2-chlorophenyl)ethyl] N-[1-(4-cyanophenyl)-4-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
1-(2-chlorophenyl)ethyl N-[5-(4-cyanophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate
CID 22279580
2-[4-[4-[4-methyl-5-(1-phenylethoxycarbonylamino)pyrazol-1-yl]phenyl]phenyl]acetic acid
CID 71266530
1-(2-chlorophenyl)ethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-fluoropyrazol-5-yl]carbamate
CID 151308644
[1-[4-[4-methyl-5-(1-phenylethoxycarbonylamino)pyrazol-1-yl]phenyl]piperidin-4-yl] cyclopropanecarboxylate
CID 175138586
1-[4-[4-[5-[1-(2-chlorophenyl)ethoxycarbonylamino]-4-fluoropyrazol-1-yl]phenyl]-3-fluorophenyl]cyclopropane-1-carboxylic acid
CID 90401425
[(1R)-1-(2-chlorophenyl)ethyl] N-[4-fluoro-1-[4-[4-[1-(2H-tetrazol-5-yl)cyclopropyl]phenyl]phenyl]pyrazol-5-yl]carbamate
CID 155784047
1-[4-[4-[5-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2,4-triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 78057905
1-phenylethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-methylpyrazol-5-yl]carbamate
CID 141415889
[(1R)-1-(2-chlorophenyl)ethyl] N-[5-[5-[(1-cyano-3-hydroxycyclobutanecarbonyl)amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
CID 170047835
[(1R)-1-(2-chlorophenyl)ethyl] N-[2-[4-[4-(1-ethylcyclopropyl)phenyl]phenyl]pyrazol-3-yl]carbamate
CID 89447319
[(1R)-1-(2-chlorophenyl)ethyl] N-[4-[5-(methoxymethoxy)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate
CID 175909953

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl] N-[1-(4-cyanophenyl)-4-methylpyrazol-5-yl]carbamate?
The IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl] N-[1-(4-cyanophenyl)-4-methylpyrazol-5-yl]carbamate (CID 90428534) is [(1R)-1-(2-chlorophenyl)ethyl] N-[1-(4-cyanophenyl)-4-methylpyrazol-5-yl]carbamate.
What is the SMILES notation for [(1R)-1-(2-chlorophenyl)ethyl] N-[1-(4-cyanophenyl)-4-methylpyrazol-5-yl]carbamate?
The canonical SMILES for [(1R)-1-(2-chlorophenyl)ethyl] N-[1-(4-cyanophenyl)-4-methylpyrazol-5-yl]carbamate is Cc1cnn(-c2ccc(C#N)cc2)c1NC(=O)O[C@H](C)c1ccccc1Cl.
What is the InChIKey of [(1R)-1-(2-chlorophenyl)ethyl] N-[1-(4-cyanophenyl)-4-methylpyrazol-5-yl]carbamate?
The InChIKey is OJUKOLDXTCBRHK-CQSZACIVSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-13-12-23-25(16-9-7-15(11-22)8-10-16)19(13)24-20(26)27-14(2)17-5-3-4-6-18(17)21/h3-10,12,14H,1-2H3,(H,24,26)/t14-/m1/s1.
What are the key properties of [(1R)-1-(2-chlorophenyl)ethyl] N-[1-(4-cyanophenyl)-4-methylpyrazol-5-yl]carbamate?
[(1R)-1-(2-chlorophenyl)ethyl] N-[1-(4-cyanophenyl)-4-methylpyrazol-5-yl]carbamate has a molecular weight of 380.84 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-chlorophenyl)ethyl] N-[1-(4-cyanophenyl)-4-methylpyrazol-5-yl]carbamate is sourced from PubChem (CID 90428534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).