4-amino-N-cyclobutyl-1-methylpyrazole-3-carboxamide

C9H14N4O — CID 65354000

IUPAC4-amino-N-cyclobutyl-1-methylpyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)NC2CCC2)n1
InChIInChI=1S/C9H14N4O/c1-13-5-7(10)8(12-13)9(14)11-6-3-2-4-6/h5-6H,2-4,10H2,1H3,(H,11,14)
InChIKeyNILOPFIVQCAHIP-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.28
Rot. Bonds2

About 4-amino-N-cyclobutyl-1-methylpyrazole-3-carboxamide

4-amino-N-cyclobutyl-1-methylpyrazole-3-carboxamide (PubChem CID 65354000) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-amino-N-cyclobutyl-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclobutyl-1-methylpyrazole-3-carboxamide
PubChem CID65354000
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-amino-N-cyclobutyl-1-methylpyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)NC2CCC2)n1
InChIInChI=1S/C9H14N4O/c1-13-5-7(10)8(12-13)9(14)11-6-3-2-4-6/h5-6H,2-4,10H2,1H3,(H,11,14)
InChIKeyNILOPFIVQCAHIP-UHFFFAOYSA-N
XLogP0.28
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclobutyl-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-cyclobutyl-1-methylpyrazole-3-carboxamide (CID 65354000) is 4-amino-N-cyclobutyl-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-cyclobutyl-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-cyclobutyl-1-methylpyrazole-3-carboxamide is Cn1cc(N)c(C(=O)NC2CCC2)n1.
What is the InChIKey of 4-amino-N-cyclobutyl-1-methylpyrazole-3-carboxamide?
The InChIKey is NILOPFIVQCAHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-13-5-7(10)8(12-13)9(14)11-6-3-2-4-6/h5-6H,2-4,10H2,1H3,(H,11,14).
What are the key properties of 4-amino-N-cyclobutyl-1-methylpyrazole-3-carboxamide?
4-amino-N-cyclobutyl-1-methylpyrazole-3-carboxamide has a molecular weight of 194.24 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclobutyl-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 65354000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).