4-amino-1-methyl-N-(1-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxamide

C12H17N5O — CID 114251336

IUPAC4-amino-1-methyl-N-(1-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxamide
SMILESCC(C)n1ccc(NC(=O)c2cc(N)cn2C)n1
InChIInChI=1S/C12H17N5O/c1-8(2)17-5-4-11(15-17)14-12(18)10-6-9(13)7-16(10)3/h4-8H,13H2,1-3H3,(H,14,15,18)
InChIKeyYEHAQIMONKGHOO-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.64
Rot. Bonds3

About 4-amino-1-methyl-N-(1-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxamide

4-amino-1-methyl-N-(1-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxamide (PubChem CID 114251336) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-amino-1-methyl-N-(1-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-(1-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxamide
PubChem CID114251336
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name4-amino-1-methyl-N-(1-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxamide
SMILESCC(C)n1ccc(NC(=O)c2cc(N)cn2C)n1
InChIInChI=1S/C12H17N5O/c1-8(2)17-5-4-11(15-17)14-12(18)10-6-9(13)7-16(10)3/h4-8H,13H2,1-3H3,(H,14,15,18)
InChIKeyYEHAQIMONKGHOO-UHFFFAOYSA-N
XLogP1.64
TPSA77.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-methyl-N-pyrazin-2-ylpyrrole-2-carboxamide
CID 43644131
4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 114931717
4-amino-1-methyl-N-pyrimidin-5-ylpyrrole-2-carboxamide
CID 107587408
4-amino-N-(2,2-dichloroethyl)-1-methylpyrrole-2-carboxamide
CID 130551753
3-amino-2,2,3-trimethyl-N-(1-propan-2-ylpyrazol-3-yl)butanamide
CID 114252199
4-amino-N-(4-carbamoylphenyl)-1-methylpyrrole-2-carboxamide
CID 43642890
4-amino-1-methyl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 43641889
ethyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylimidazole-2-carboxylate
CID 59799146
4-bromo-N-(1-methylpyrazol-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 60808516
1-(4-amino-1-methylpyrrol-2-yl)-2-methylpropan-1-one
CID 131496462
4-amino-N-(4-hydroxypentyl)-1-methylpyrrole-2-carboxamide
CID 106118881
4-amino-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 43643164

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-(1-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-(1-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxamide (CID 114251336) is 4-amino-1-methyl-N-(1-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-(1-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-(1-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxamide is CC(C)n1ccc(NC(=O)c2cc(N)cn2C)n1.
What is the InChIKey of 4-amino-1-methyl-N-(1-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxamide?
The InChIKey is YEHAQIMONKGHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8(2)17-5-4-11(15-17)14-12(18)10-6-9(13)7-16(10)3/h4-8H,13H2,1-3H3,(H,14,15,18).
What are the key properties of 4-amino-1-methyl-N-(1-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxamide?
4-amino-1-methyl-N-(1-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.64, 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-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 114251336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).