4-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-5-carboxamide

C12H20N4O — CID 65359425

IUPAC4-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-5-carboxamide
SMILESCCC(CC1CC1)NC(=O)c1c(N)cnn1C
InChIInChI=1S/C12H20N4O/c1-3-9(6-8-4-5-8)15-12(17)11-10(13)7-14-16(11)2/h7-9H,3-6,13H2,1-2H3,(H,15,17)
InChIKeyBEXHDFURKLGBKK-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.31
Rot. Bonds5

About 4-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-5-carboxamide

4-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 65359425) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-5-carboxamide
PubChem CID65359425
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-5-carboxamide
SMILESCCC(CC1CC1)NC(=O)c1c(N)cnn1C
InChIInChI=1S/C12H20N4O/c1-3-9(6-8-4-5-8)15-12(17)11-10(13)7-14-16(11)2/h7-9H,3-6,13H2,1-2H3,(H,15,17)
InChIKeyBEXHDFURKLGBKK-UHFFFAOYSA-N
XLogP1.31
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-5-carboxamide (CID 65359425) is 4-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-5-carboxamide is CCC(CC1CC1)NC(=O)c1c(N)cnn1C.
What is the InChIKey of 4-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is BEXHDFURKLGBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-9(6-8-4-5-8)15-12(17)11-10(13)7-14-16(11)2/h7-9H,3-6,13H2,1-2H3,(H,15,17).
What are the key properties of 4-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-5-carboxamide?
4-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 65359425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).