4-amino-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide

C13H19N5O — CID 61351154

IUPAC4-amino-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(N)cc1C(=O)NCc1cnn(C)c1
InChIInChI=1S/C13H19N5O/c1-9(2)18-8-11(14)4-12(18)13(19)15-5-10-6-16-17(3)7-10/h4,6-9H,5,14H2,1-3H3,(H,15,19)
InChIKeyGXPKNFQBQXNMOD-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.31
Rot. Bonds4

About 4-amino-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide

4-amino-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 61351154) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-amino-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID61351154
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name4-amino-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(N)cc1C(=O)NCc1cnn(C)c1
InChIInChI=1S/C13H19N5O/c1-9(2)18-8-11(14)4-12(18)13(19)15-5-10-6-16-17(3)7-10/h4,6-9H,5,14H2,1-3H3,(H,15,19)
InChIKeyGXPKNFQBQXNMOD-UHFFFAOYSA-N
XLogP1.31
TPSA77.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide
CID 61348466
4-amino-N-(2-cyclopentylethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 54932690
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
5-amino-2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 107184699
5-amino-2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 103296226
4-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 80681128
2-amino-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 61349106
4-amino-N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 64519328
4-amino-N-[(2,4-difluorophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62223612
6-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]pyridazine-3-carboxamide
CID 62248075
4-amino-N-(2-hydroxypentyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 113495460
4-amino-N-(2-methyl-2-methylsulfonylpropyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 79552297

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide (CID 61351154) is 4-amino-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(N)cc1C(=O)NCc1cnn(C)c1.
What is the InChIKey of 4-amino-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is GXPKNFQBQXNMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-9(2)18-8-11(14)4-12(18)13(19)15-5-10-6-16-17(3)7-10/h4,6-9H,5,14H2,1-3H3,(H,15,19).
What are the key properties of 4-amino-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide?
4-amino-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 261.33 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 61351154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).