4-chloro-1-ethyl-N-[(4-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide

C19H24ClN3O3 — CID 99938939

IUPAC4-chloro-1-ethyl-N-[(4-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)N(Cc2ccc(OC)cc2)C[C@H]2CCCO2)n1
InChIInChI=1S/C19H24ClN3O3/c1-3-23-13-17(20)18(21-23)19(24)22(12-16-5-4-10-26-16)11-14-6-8-15(25-2)9-7-14/h6-9,13,16H,3-5,10-12H2,1-2H3/t16-/m1/s1
InChIKeyZVQSTABQZHMXGO-MRXNPFEDSA-N
MW377.87 g/mol
LogP3.39
Rot. Bonds7

About 4-chloro-1-ethyl-N-[(4-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide

4-chloro-1-ethyl-N-[(4-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide (PubChem CID 99938939) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-[(4-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-[(4-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
PubChem CID99938939
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name4-chloro-1-ethyl-N-[(4-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)N(Cc2ccc(OC)cc2)C[C@H]2CCCO2)n1
InChIInChI=1S/C19H24ClN3O3/c1-3-23-13-17(20)18(21-23)19(24)22(12-16-5-4-10-26-16)11-14-6-8-15(25-2)9-7-14/h6-9,13,16H,3-5,10-12H2,1-2H3/t16-/m1/s1
InChIKeyZVQSTABQZHMXGO-MRXNPFEDSA-N
XLogP3.39
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 131919524
N-[(4-methoxyphenyl)methyl]-2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 99940692
N-[(4-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 70730348
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
N-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 99929919
N-[(4-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 97270295
N-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 77089111
2,4-dichloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19118825
2-chloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19118818
[4-[[(3-methoxybenzoyl)-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl] methanesulfonate
CID 7482553
[4-[[(3-methoxybenzoyl)-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate
CID 3364306
4,5-dichloro-N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 86847436

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-[(4-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-[(4-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide (CID 99938939) is 4-chloro-1-ethyl-N-[(4-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-[(4-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-[(4-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide is CCn1cc(Cl)c(C(=O)N(Cc2ccc(OC)cc2)C[C@H]2CCCO2)n1.
What is the InChIKey of 4-chloro-1-ethyl-N-[(4-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide?
The InChIKey is ZVQSTABQZHMXGO-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-3-23-13-17(20)18(21-23)19(24)22(12-16-5-4-10-26-16)11-14-6-8-15(25-2)9-7-14/h6-9,13,16H,3-5,10-12H2,1-2H3/t16-/m1/s1.
What are the key properties of 4-chloro-1-ethyl-N-[(4-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide?
4-chloro-1-ethyl-N-[(4-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide has a molecular weight of 377.87 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-[(4-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 99938939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).