1-(4-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide

C18H17ClN4O2 — CID 55841094

IUPAC1-(4-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide
SMILESCCOc1cc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2)ccn1
InChIInChI=1S/C18H17ClN4O2/c1-2-25-17-9-13(7-8-20-17)10-21-18(24)14-11-22-23(12-14)16-5-3-15(19)4-6-16/h3-9,11-12H,2,10H2,1H3,(H,21,24)
InChIKeyAXPMKZWWOMVIQM-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.25
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide (PubChem CID 55841094) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide
PubChem CID55841094
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name1-(4-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide
SMILESCCOc1cc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2)ccn1
InChIInChI=1S/C18H17ClN4O2/c1-2-25-17-9-13(7-8-20-17)10-21-18(24)14-11-22-23(12-14)16-5-3-15(19)4-6-16/h3-9,11-12H,2,10H2,1H3,(H,21,24)
InChIKeyAXPMKZWWOMVIQM-UHFFFAOYSA-N
XLogP3.25
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-6-ethoxypyridine-3-carboxamide
CID 86968541
1-(4-chlorophenyl)-N-(3-ethoxypropyl)pyrazole-4-carboxamide
CID 50772943
4-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]benzamide
CID 55716054
1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazole-4-carboxamide
CID 47046691
2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide
CID 55707876
6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 4658115
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
CID 55773493
1-(4-chlorophenyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 78888339
1-[(4-chlorophenyl)methyl]-3-[(2-ethoxy-4-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111131711
N-[(2-ethoxy-4-pyridinyl)methyl]-6-phenoxypyridine-3-carboxamide
CID 78899959
1-(4-bromophenyl)-N-[(3-bromophenyl)methyl]pyrazole-4-carboxamide
CID 50772799
1-(4-chlorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
CID 111461412

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide (CID 55841094) is 1-(4-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide is CCOc1cc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2)ccn1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide?
The InChIKey is AXPMKZWWOMVIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-2-25-17-9-13(7-8-20-17)10-21-18(24)14-11-22-23(12-14)16-5-3-15(19)4-6-16/h3-9,11-12H,2,10H2,1H3,(H,21,24).
What are the key properties of 1-(4-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55841094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).