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

C20H16ClN5O — CID 135453331

IUPAC4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1
InChIInChI=1S/C20H16ClN5O/c21-16-5-1-4-14(7-16)17-12-25-26-19(17)15-8-18(23-11-15)20(27)24-10-13-3-2-6-22-9-13/h1-9,11-12,23H,10H2,(H,24,27)(H,25,26)
InChIKeyIKSOSHYRFLZPCI-UHFFFAOYSA-N
MW377.84 g/mol
LogP4.05
Rot. Bonds5

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

4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 135453331) has the molecular formula C20H16ClN5O and a molecular weight of 377.84 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID135453331
Molecular FormulaC20H16ClN5O
Molecular Weight377.84 g/mol
Exact Mass377.10
IUPAC Name4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1
InChIInChI=1S/C20H16ClN5O/c21-16-5-1-4-14(7-16)17-12-25-26-19(17)15-8-18(23-11-15)20(27)24-10-13-3-2-6-22-9-13/h1-9,11-12,23H,10H2,(H,24,27)(H,25,26)
InChIKeyIKSOSHYRFLZPCI-UHFFFAOYSA-N
XLogP4.05
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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-(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
US10022354, Example 46
CID 121279427
US10022354, Example 71
CID 121279677

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide (CID 135453331) is 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide is O=C(NCc1cccnc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1.
What is the InChIKey of 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is IKSOSHYRFLZPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O/c21-16-5-1-4-14(7-16)17-12-25-26-19(17)15-8-18(23-11-15)20(27)24-10-13-3-2-6-22-9-13/h1-9,11-12,23H,10H2,(H,24,27)(H,25,26).
What are the key properties of 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 377.84 g/mol, XLogP of 4.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 135453331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).