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

C11H16N6O — CID 55034045

IUPAC4-amino-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCCc2nccn2C)c1N
InChIInChI=1S/C11H16N6O/c1-7-9(12)10(16-15-7)11(18)14-4-3-8-13-5-6-17(8)2/h5-6H,3-4,12H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyMVCGFEPMHPQMOP-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.01
Rot. Bonds4

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

4-amino-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 55034045) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-amino-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID55034045
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name4-amino-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCCc2nccn2C)c1N
InChIInChI=1S/C11H16N6O/c1-7-9(12)10(16-15-7)11(18)14-4-3-8-13-5-6-17(8)2/h5-6H,3-4,12H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyMVCGFEPMHPQMOP-UHFFFAOYSA-N
XLogP0.01
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-methylimidazol-2-yl)ethyl]-1H-indazole-3-carboxamide
CID 62040532
4-amino-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 63295942
4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 61213141
4,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-5-carboxamide
CID 122555866
4-amino-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082092
4-amino-N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62081438
6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103717832
2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61215487
3-[2-(1-methylimidazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 62232290
3-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 62248784
4-amino-1-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-5-carboxamide
CID 65359190
2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 61217931

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 55034045) is 4-amino-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NCCc2nccn2C)c1N.
What is the InChIKey of 4-amino-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is MVCGFEPMHPQMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-7-9(12)10(16-15-7)11(18)14-4-3-8-13-5-6-17(8)2/h5-6H,3-4,12H2,1-2H3,(H,14,18)(H,15,16).
What are the key properties of 4-amino-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide?
4-amino-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55034045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).