4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-ethyl-N-methyl-1H-pyrrole-2-carboxamide

C17H17ClN4O — CID 135523935

IUPAC4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-ethyl-N-methyl-1H-pyrrole-2-carboxamide
SMILESCCN(C)C(=O)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1
InChIInChI=1S/C17H17ClN4O/c1-3-22(2)17(23)15-8-12(9-19-15)16-14(10-20-21-16)11-5-4-6-13(18)7-11/h4-10,19H,3H2,1-2H3,(H,20,21)
InChIKeySVGGWCSPGCMEAQ-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.82
Rot. Bonds4

About 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-ethyl-N-methyl-1H-pyrrole-2-carboxamide

4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-ethyl-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 135523935) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-ethyl-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-ethyl-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID135523935
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-ethyl-N-methyl-1H-pyrrole-2-carboxamide
SMILESCCN(C)C(=O)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1
InChIInChI=1S/C17H17ClN4O/c1-3-22(2)17(23)15-8-12(9-19-15)16-14(10-20-21-16)11-5-4-6-13(18)7-11/h4-10,19H,3H2,1-2H3,(H,20,21)
InChIKeySVGGWCSPGCMEAQ-UHFFFAOYSA-N
XLogP3.82
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-Benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 135449325
(S)-N-(1-(3-Chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-YL)-1H-pyrrole-2-carboxamide
CID 135449326
N'-((E,2E)-2-Methyl-3-phenyl-2-propenylidene)-3-(1-methyl-1H-pyrrol-2-YL)-1H-pyrazole-5-carbohydrazide
CID 6869472
Erk5-IN-4
CID 118959090
N-(1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 135523966
N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 1473242
(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[[6-(1H-pyrazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10694660
(3,4-dichlorophenyl)-[4-[[[6-(1H-pyrazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10789419
(3,4-dichlorophenyl)-[4-fluoro-4-[[[6-(1H-pyrazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10813901
US10022354, Example 2
CID 95834606
US10022354, Example 1
CID 95834607
US10022354, Example 78
CID 110264830

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-ethyl-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-ethyl-N-methyl-1H-pyrrole-2-carboxamide (CID 135523935) is 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-ethyl-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-ethyl-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-ethyl-N-methyl-1H-pyrrole-2-carboxamide is CCN(C)C(=O)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1.
What is the InChIKey of 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-ethyl-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is SVGGWCSPGCMEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-3-22(2)17(23)15-8-12(9-19-15)16-14(10-20-21-16)11-5-4-6-13(18)7-11/h4-10,19H,3H2,1-2H3,(H,20,21).
What are the key properties of 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-ethyl-N-methyl-1H-pyrrole-2-carboxamide?
4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-ethyl-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 328.80 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-ethyl-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 135523935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).