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

C12H20N4O — CID 113288604

IUPAC5-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCCC(CC1CC1)NC(=O)c1cnn(C)c1N
InChIInChI=1S/C12H20N4O/c1-3-9(6-8-4-5-8)15-12(17)10-7-14-16(2)11(10)13/h7-9H,3-6,13H2,1-2H3,(H,15,17)
InChIKeyZJBTYHMYXYVCLE-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.31
Rot. Bonds5

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

5-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-4-carboxamide (PubChem CID 113288604) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-4-carboxamide
PubChem CID113288604
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name5-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCCC(CC1CC1)NC(=O)c1cnn(C)c1N
InChIInChI=1S/C12H20N4O/c1-3-9(6-8-4-5-8)15-12(17)10-7-14-16(2)11(10)13/h7-9H,3-6,13H2,1-2H3,(H,15,17)
InChIKeyZJBTYHMYXYVCLE-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 5-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-amino-1-methyl-N-pentan-3-ylpyrazole-4-carboxamide
CID 115330307
4-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-5-carboxamide
CID 65359425
5-amino-N-(4-ethylcyclohexyl)-1-methylpyrazole-4-carboxamide
CID 115330542
6-amino-N-(1-cyclopropylbutan-2-yl)pyridine-3-carboxamide
CID 63994023
4-amino-N-(1-cyclopropylbutan-2-yl)-2-fluorobenzamide
CID 63994432
5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 115330664
4-amino-N-(1-cyclopropylbutan-2-yl)-3,5-difluorobenzamide
CID 63994420
5-amino-N-(3-cyclopentylpropyl)-1-methylpyrazole-4-carboxamide
CID 113355612
4-amino-N-(1-cyclopropylbutan-2-yl)-1-ethylpyrrole-2-carboxamide
CID 63995018
N-(1-cyclopropylbutan-2-yl)-4-hydroxy-2-methylbenzamide
CID 103865517
6-chloro-N-(1-cyclopropylbutan-2-yl)pyrazine-2-carboxamide
CID 106551346
5-amino-1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide
CID 115330698

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-4-carboxamide (CID 113288604) is 5-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-4-carboxamide is CCC(CC1CC1)NC(=O)c1cnn(C)c1N.
What is the InChIKey of 5-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-4-carboxamide?
The InChIKey is ZJBTYHMYXYVCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-9(6-8-4-5-8)15-12(17)10-7-14-16(2)11(10)13/h7-9H,3-6,13H2,1-2H3,(H,15,17).
What are the key properties of 5-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-4-carboxamide?
5-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-4-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 5-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 113288604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).