4-amino-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-3-carboxamide

C11H16N6O — CID 107345120

IUPAC4-amino-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
SMILESCC(C)n1ccc(Cn2cc(N)c(C(N)=O)n2)n1
InChIInChI=1S/C11H16N6O/c1-7(2)17-4-3-8(14-17)5-16-6-9(12)10(15-16)11(13)18/h3-4,6-7H,5,12H2,1-2H3,(H2,13,18)
InChIKeyWASQTNVFVONJPJ-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.39
Rot. Bonds4

About 4-amino-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-3-carboxamide

4-amino-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-3-carboxamide (PubChem CID 107345120) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-amino-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
PubChem CID107345120
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name4-amino-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
SMILESCC(C)n1ccc(Cn2cc(N)c(C(N)=O)n2)n1
InChIInChI=1S/C11H16N6O/c1-7(2)17-4-3-8(14-17)5-16-6-9(12)10(15-16)11(13)18/h3-4,6-7H,5,12H2,1-2H3,(H2,13,18)
InChIKeyWASQTNVFVONJPJ-UHFFFAOYSA-N
XLogP0.39
TPSA104.75 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 ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-3-carboxamide (CID 107345120) is 4-amino-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-3-carboxamide is CC(C)n1ccc(Cn2cc(N)c(C(N)=O)n2)n1.
What is the InChIKey of 4-amino-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is WASQTNVFVONJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-7(2)17-4-3-8(14-17)5-16-6-9(12)10(15-16)11(13)18/h3-4,6-7H,5,12H2,1-2H3,(H2,13,18).
What are the key properties of 4-amino-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
4-amino-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 107345120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).