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

C11H15N5O — CID 61348466

IUPAC4-amino-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide
SMILESCn1cc(CNC(=O)c2cc(N)cn2C)cn1
InChIInChI=1S/C11H15N5O/c1-15-7-9(12)3-10(15)11(17)13-4-8-5-14-16(2)6-8/h3,5-7H,4,12H2,1-2H3,(H,13,17)
InChIKeyRQELOXYYTIVNSS-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.27
Rot. Bonds3

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

4-amino-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide (PubChem CID 61348466) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 4-amino-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide
PubChem CID61348466
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name4-amino-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide
SMILESCn1cc(CNC(=O)c2cc(N)cn2C)cn1
InChIInChI=1S/C11H15N5O/c1-15-7-9(12)3-10(15)11(17)13-4-8-5-14-16(2)6-8/h3,5-7H,4,12H2,1-2H3,(H,13,17)
InChIKeyRQELOXYYTIVNSS-UHFFFAOYSA-N
XLogP0.27
TPSA77.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61351154
4-amino-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 43643164
4-amino-1-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide
CID 55142255
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
4-amino-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide
CID 63304317
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
3-amino-4,5-dichloro-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61349240
5-amino-N-[(1-methylpyrazol-4-yl)methyl]-2-nitrobenzamide
CID 62185630
4-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
CID 43642800
4-amino-N-(2,2-dichloroethyl)-1-methylpyrrole-2-carboxamide
CID 130551753
N-[(1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 35523459

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide (CID 61348466) is 4-amino-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide is Cn1cc(CNC(=O)c2cc(N)cn2C)cn1.
What is the InChIKey of 4-amino-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is RQELOXYYTIVNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-15-7-9(12)3-10(15)11(17)13-4-8-5-14-16(2)6-8/h3,5-7H,4,12H2,1-2H3,(H,13,17).
What are the key properties of 4-amino-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide?
4-amino-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide has a molecular weight of 233.28 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 61348466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).