N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4-pyrrol-1-ylbenzamide

C20H17N5O — CID 51101543

IUPACN-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4-pyrrol-1-ylbenzamide
SMILESO=C(Nc1ccn(Cc2ccccn2)n1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C20H17N5O/c26-20(16-6-8-18(9-7-16)24-12-3-4-13-24)22-19-10-14-25(23-19)15-17-5-1-2-11-21-17/h1-14H,15H2,(H,22,23,26)
InChIKeyQOVXPGXUARCPPP-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.37
Rot. Bonds5

About N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4-pyrrol-1-ylbenzamide

N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4-pyrrol-1-ylbenzamide (PubChem CID 51101543) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4-pyrrol-1-ylbenzamide
PubChem CID51101543
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4-pyrrol-1-ylbenzamide
SMILESO=C(Nc1ccn(Cc2ccccn2)n1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C20H17N5O/c26-20(16-6-8-18(9-7-16)24-12-3-4-13-24)22-19-10-14-25(23-19)15-17-5-1-2-11-21-17/h1-14H,15H2,(H,22,23,26)
InChIKeyQOVXPGXUARCPPP-UHFFFAOYSA-N
XLogP3.37
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide
CID 51101562
N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 52817236
methyl 4-[[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]carbamoyl]benzoate
CID 49496908
4-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]butanamide
CID 51101514
5-chloro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]quinoline-8-carboxamide
CID 47089643
1-[2-(4-hydroxyphenyl)ethyl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
CID 166181805
6-chloro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]quinoline-8-carboxamide
CID 47089636
4-methoxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 161037055
2,2-dichloro-1-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 71881007
(5S)-5-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 95273803
(1S,2S,4S)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98730671
cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 52536233

Frequently Asked Questions

What is the IUPAC name of N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4-pyrrol-1-ylbenzamide (CID 51101543) is N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4-pyrrol-1-ylbenzamide is O=C(Nc1ccn(Cc2ccccn2)n1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4-pyrrol-1-ylbenzamide?
The InChIKey is QOVXPGXUARCPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c26-20(16-6-8-18(9-7-16)24-12-3-4-13-24)22-19-10-14-25(23-19)15-17-5-1-2-11-21-17/h1-14H,15H2,(H,22,23,26).
What are the key properties of N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4-pyrrol-1-ylbenzamide?
N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4-pyrrol-1-ylbenzamide has a molecular weight of 343.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 51101543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).