4-amino-1-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methylpyrazole-5-carboxamide

C11H16N6O — CID 66122946

IUPAC4-amino-1-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)NCc1cnc[nH]1
InChIInChI=1S/C11H16N6O/c1-3-17-10(9(12)7(2)16-17)11(18)14-5-8-4-13-6-15-8/h4,6H,3,5,12H2,1-2H3,(H,13,15)(H,14,18)
InChIKeyBAWOAMHFDXBLEC-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.45
Rot. Bonds4

About 4-amino-1-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methylpyrazole-5-carboxamide

4-amino-1-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methylpyrazole-5-carboxamide (PubChem CID 66122946) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methylpyrazole-5-carboxamide
PubChem CID66122946
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name4-amino-1-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)NCc1cnc[nH]1
InChIInChI=1S/C11H16N6O/c1-3-17-10(9(12)7(2)16-17)11(18)14-5-8-4-13-6-15-8/h4,6H,3,5,12H2,1-2H3,(H,13,15)(H,14,18)
InChIKeyBAWOAMHFDXBLEC-UHFFFAOYSA-N
XLogP0.45
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 ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methylpyrazole-5-carboxamide (CID 66122946) is 4-amino-1-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methylpyrazole-5-carboxamide is CCn1nc(C)c(N)c1C(=O)NCc1cnc[nH]1.
What is the InChIKey of 4-amino-1-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methylpyrazole-5-carboxamide?
The InChIKey is BAWOAMHFDXBLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-3-17-10(9(12)7(2)16-17)11(18)14-5-8-4-13-6-15-8/h4,6H,3,5,12H2,1-2H3,(H,13,15)(H,14,18).
What are the key properties of 4-amino-1-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methylpyrazole-5-carboxamide?
4-amino-1-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methylpyrazole-5-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(1H-imidazol-5-ylmethyl)-3-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66122946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).