4-amino-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C12H18N6O — CID 63295942

IUPAC4-amino-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NCc2nccn2C)c1N
InChIInChI=1S/C12H18N6O/c1-7(2)10-9(13)11(17-16-10)12(19)15-6-8-14-4-5-18(8)3/h4-5,7H,6,13H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyNJOIXUJFCDHDOV-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.78
Rot. Bonds4

About 4-amino-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-amino-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 63295942) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-amino-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID63295942
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name4-amino-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NCc2nccn2C)c1N
InChIInChI=1S/C12H18N6O/c1-7(2)10-9(13)11(17-16-10)12(19)15-6-8-14-4-5-18(8)3/h4-5,7H,6,13H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyNJOIXUJFCDHDOV-UHFFFAOYSA-N
XLogP0.78
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide
CID 62077584
4-amino-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 55034045
4-amino-N-(2-hydroxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076723
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
4-amino-1-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide
CID 65362915
2-methoxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 115610745
(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 130637454
4-amino-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63295986
2-amino-3-bromo-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 110451079
3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 63293672
(2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 79013544
6-amino-N-[(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 114035922

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 63295942) is 4-amino-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)NCc2nccn2C)c1N.
What is the InChIKey of 4-amino-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is NJOIXUJFCDHDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-7(2)10-9(13)11(17-16-10)12(19)15-6-8-14-4-5-18(8)3/h4-5,7H,6,13H2,1-3H3,(H,15,19)(H,16,17).
What are the key properties of 4-amino-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-amino-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 262.32 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 63295942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).