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

C18H21N5O — CID 166286991

IUPACN-[1-(2-methylpropyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
SMILESCC(C)Cn1ccc(NC(=O)c2cccn2Cc2ccncc2)n1
InChIInChI=1S/C18H21N5O/c1-14(2)12-23-11-7-17(21-23)20-18(24)16-4-3-10-22(16)13-15-5-8-19-9-6-15/h3-11,14H,12-13H2,1-2H3,(H,20,21,24)
InChIKeySYEHYAVPVQBPDN-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.04
Rot. Bonds6

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

N-[1-(2-methylpropyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide (PubChem CID 166286991) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[1-(2-methylpropyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methylpropyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
PubChem CID166286991
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[1-(2-methylpropyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
SMILESCC(C)Cn1ccc(NC(=O)c2cccn2Cc2ccncc2)n1
InChIInChI=1S/C18H21N5O/c1-14(2)12-23-11-7-17(21-23)20-18(24)16-4-3-10-22(16)13-15-5-8-19-9-6-15/h3-11,14H,12-13H2,1-2H3,(H,20,21,24)
InChIKeySYEHYAVPVQBPDN-UHFFFAOYSA-N
XLogP3.04
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methoxyethyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 166180657
N-[1-(3-hydroxypropyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 166379836
N-(4-propan-2-yl-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 167069410
N-(1-tert-butyl-1,2,4-triazol-3-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 166379839
1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanone
CID 79106384
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 167069411
N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-2H-benzotriazole-5-carboxamide
CID 51101879
N-(4-bromo-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 154695040
N-(5-propyl-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 138042515
N-methyl-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanamine
CID 79102137
N-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 167069389
4-bromo-5-propan-2-yl-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]-1H-pyrazole-3-carboxamide
CID 56561605

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of N-[1-(2-methylpropyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide (CID 166286991) is N-[1-(2-methylpropyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[1-(2-methylpropyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[1-(2-methylpropyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide is CC(C)Cn1ccc(NC(=O)c2cccn2Cc2ccncc2)n1.
What is the InChIKey of N-[1-(2-methylpropyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is SYEHYAVPVQBPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-14(2)12-23-11-7-17(21-23)20-18(24)16-4-3-10-22(16)13-15-5-8-19-9-6-15/h3-11,14H,12-13H2,1-2H3,(H,20,21,24).
What are the key properties of N-[1-(2-methylpropyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
N-[1-(2-methylpropyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 166286991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).