5-(2-methylpropyl)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-2H-pyrrole-3-carboxamide

C18H21N5O — CID 158025515

IUPAC5-(2-methylpropyl)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-2H-pyrrole-3-carboxamide
SMILESCC(C)CC1=NCC(C(=O)Nc2cc(-c3ccncc3)nn2C)=C1
InChIInChI=1S/C18H21N5O/c1-12(2)8-15-9-14(11-20-15)18(24)21-17-10-16(22-23(17)3)13-4-6-19-7-5-13/h4-7,9-10,12H,8,11H2,1-3H3,(H,21,24)
InChIKeyVMMFHMCLSGGQJQ-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.85
Rot. Bonds5

About 5-(2-methylpropyl)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-2H-pyrrole-3-carboxamide

5-(2-methylpropyl)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-2H-pyrrole-3-carboxamide (PubChem CID 158025515) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-2H-pyrrole-3-carboxamide
PubChem CID158025515
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name5-(2-methylpropyl)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-2H-pyrrole-3-carboxamide
SMILESCC(C)CC1=NCC(C(=O)Nc2cc(-c3ccncc3)nn2C)=C1
InChIInChI=1S/C18H21N5O/c1-12(2)8-15-9-14(11-20-15)18(24)21-17-10-16(22-23(17)3)13-4-6-19-7-5-13/h4-7,9-10,12H,8,11H2,1-3H3,(H,21,24)
InChIKeyVMMFHMCLSGGQJQ-UHFFFAOYSA-N
XLogP2.85
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-2H-pyrrole-3-carboxamide?
The IUPAC name of 5-(2-methylpropyl)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-2H-pyrrole-3-carboxamide (CID 158025515) is 5-(2-methylpropyl)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-2H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-methylpropyl)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-2H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(2-methylpropyl)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-2H-pyrrole-3-carboxamide is CC(C)CC1=NCC(C(=O)Nc2cc(-c3ccncc3)nn2C)=C1.
What is the InChIKey of 5-(2-methylpropyl)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-2H-pyrrole-3-carboxamide?
The InChIKey is VMMFHMCLSGGQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12(2)8-15-9-14(11-20-15)18(24)21-17-10-16(22-23(17)3)13-4-6-19-7-5-13/h4-7,9-10,12H,8,11H2,1-3H3,(H,21,24).
What are the key properties of 5-(2-methylpropyl)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-2H-pyrrole-3-carboxamide?
5-(2-methylpropyl)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-2H-pyrrole-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 158025515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).