4-amino-N-butyl-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide

C12H20N4O — CID 62075477

IUPAC4-amino-N-butyl-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide
SMILESCCCCN(C)C(=O)c1n[nH]c(C2CC2)c1N
InChIInChI=1S/C12H20N4O/c1-3-4-7-16(2)12(17)11-9(13)10(14-15-11)8-5-6-8/h8H,3-7,13H2,1-2H3,(H,14,15)
InChIKeyZFILZIIYHOYGAC-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.74
Rot. Bonds5

About 4-amino-N-butyl-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide

4-amino-N-butyl-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide (PubChem CID 62075477) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-amino-N-butyl-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide
PubChem CID62075477
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-amino-N-butyl-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide
SMILESCCCCN(C)C(=O)c1n[nH]c(C2CC2)c1N
InChIInChI=1S/C12H20N4O/c1-3-4-7-16(2)12(17)11-9(13)10(14-15-11)8-5-6-8/h8H,3-7,13H2,1-2H3,(H,14,15)
InChIKeyZFILZIIYHOYGAC-UHFFFAOYSA-N
XLogP1.74
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-butyl-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide (CID 62075477) is 4-amino-N-butyl-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-butyl-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide is CCCCN(C)C(=O)c1n[nH]c(C2CC2)c1N.
What is the InChIKey of 4-amino-N-butyl-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is ZFILZIIYHOYGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-4-7-16(2)12(17)11-9(13)10(14-15-11)8-5-6-8/h8H,3-7,13H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-N-butyl-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide?
4-amino-N-butyl-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62075477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).