4-amino-5-cyclopropyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-carboxamide

C13H20N4OS — CID 80727030

IUPAC4-amino-5-cyclopropyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCC1(CNC(=O)c2n[nH]c(C3CC3)c2N)CCCS1
InChIInChI=1S/C13H20N4OS/c1-13(5-2-6-19-13)7-15-12(18)11-9(14)10(16-17-11)8-3-4-8/h8H,2-7,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyGILIEEXAQZCIEH-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.88
Rot. Bonds4

About 4-amino-5-cyclopropyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-carboxamide

4-amino-5-cyclopropyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 80727030) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID80727030
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name4-amino-5-cyclopropyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCC1(CNC(=O)c2n[nH]c(C3CC3)c2N)CCCS1
InChIInChI=1S/C13H20N4OS/c1-13(5-2-6-19-13)7-15-12(18)11-9(14)10(16-17-11)8-3-4-8/h8H,2-7,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyGILIEEXAQZCIEH-UHFFFAOYSA-N
XLogP1.88
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-5-cyclopropyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-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-5-cyclopropyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-cyclopropyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-carboxamide (CID 80727030) is 4-amino-5-cyclopropyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyclopropyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-cyclopropyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-carboxamide is CC1(CNC(=O)c2n[nH]c(C3CC3)c2N)CCCS1.
What is the InChIKey of 4-amino-5-cyclopropyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is GILIEEXAQZCIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-13(5-2-6-19-13)7-15-12(18)11-9(14)10(16-17-11)8-3-4-8/h8H,2-7,14H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 4-amino-5-cyclopropyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-carboxamide?
4-amino-5-cyclopropyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 280.40 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclopropyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 80727030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).