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

C11H16N6O — CID 65362915

IUPAC4-amino-1-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NCc2nccn2C)n1
InChIInChI=1S/C11H16N6O/c1-3-17-7-8(12)10(15-17)11(18)14-6-9-13-4-5-16(9)2/h4-5,7H,3,6,12H2,1-2H3,(H,14,18)
InChIKeyZCUWBCYZADILIH-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.15
Rot. Bonds4

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

4-amino-1-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide (PubChem CID 65362915) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide
PubChem CID65362915
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name4-amino-1-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NCc2nccn2C)n1
InChIInChI=1S/C11H16N6O/c1-3-17-7-8(12)10(15-17)11(18)14-6-9-13-4-5-16(9)2/h4-5,7H,3,6,12H2,1-2H3,(H,14,18)
InChIKeyZCUWBCYZADILIH-UHFFFAOYSA-N
XLogP0.15
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide (CID 65362915) is 4-amino-1-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide is CCn1cc(N)c(C(=O)NCc2nccn2C)n1.
What is the InChIKey of 4-amino-1-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is ZCUWBCYZADILIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-3-17-7-8(12)10(15-17)11(18)14-6-9-13-4-5-16(9)2/h4-5,7H,3,6,12H2,1-2H3,(H,14,18).
What are the key properties of 4-amino-1-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide?
4-amino-1-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 65362915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).