4-amino-5-cyclopropyl-N-(2-prop-2-ynylsulfanylethyl)-1H-pyrazole-3-carboxamide

C12H16N4OS — CID 106425250

IUPAC4-amino-5-cyclopropyl-N-(2-prop-2-ynylsulfanylethyl)-1H-pyrazole-3-carboxamide
SMILESC#CCSCCNC(=O)c1n[nH]c(C2CC2)c1N
InChIInChI=1S/C12H16N4OS/c1-2-6-18-7-5-14-12(17)11-9(13)10(15-16-11)8-3-4-8/h1,8H,3-7,13H2,(H,14,17)(H,15,16)
InChIKeyVGJYGIXQOSOJJY-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.97
Rot. Bonds6

About 4-amino-5-cyclopropyl-N-(2-prop-2-ynylsulfanylethyl)-1H-pyrazole-3-carboxamide

4-amino-5-cyclopropyl-N-(2-prop-2-ynylsulfanylethyl)-1H-pyrazole-3-carboxamide (PubChem CID 106425250) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-N-(2-prop-2-ynylsulfanylethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-N-(2-prop-2-ynylsulfanylethyl)-1H-pyrazole-3-carboxamide
PubChem CID106425250
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name4-amino-5-cyclopropyl-N-(2-prop-2-ynylsulfanylethyl)-1H-pyrazole-3-carboxamide
SMILESC#CCSCCNC(=O)c1n[nH]c(C2CC2)c1N
InChIInChI=1S/C12H16N4OS/c1-2-6-18-7-5-14-12(17)11-9(13)10(15-16-11)8-3-4-8/h1,8H,3-7,13H2,(H,14,17)(H,15,16)
InChIKeyVGJYGIXQOSOJJY-UHFFFAOYSA-N
XLogP0.97
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-amino-5-cyclopropyl-N-(2-prop-2-ynylsulfanylethyl)-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

Related Compounds

4-amino-5-cyclopropyl-N-hex-5-ynyl-1H-pyrazole-3-carboxamide
CID 106208189
4-amino-5-propyl-N-(2-prop-2-ynylsulfanylethyl)-1H-pyrazole-3-carboxamide
CID 114187152
4-amino-5-cyclopropyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide
CID 62077794
4-amino-5-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-3-carboxamide
CID 62077444
4-amino-5-cyclopropyl-N-(3-sulfamoylpropyl)-1H-pyrazole-3-carboxamide
CID 62077959
4-amino-5-cyclopropyl-N-[2-(dimethylsulfamoyl)ethyl]-1H-pyrazole-3-carboxamide
CID 106333015
4-amino-N-(2-cyclopentyloxyethyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 63826168
4-amino-5-cyclopropyl-N-(2,2-difluoroethyl)-1H-pyrazole-3-carboxamide
CID 115405300
4-amino-5-cyclopropyl-N-[(2S)-2-hydroxypropyl]-1H-pyrazole-3-carboxamide
CID 107211171
4-amino-5-cyclopropyl-N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-3-carboxamide
CID 106324532
4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 106033606
4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 106163987

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclopropyl-N-(2-prop-2-ynylsulfanylethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-cyclopropyl-N-(2-prop-2-ynylsulfanylethyl)-1H-pyrazole-3-carboxamide (CID 106425250) is 4-amino-5-cyclopropyl-N-(2-prop-2-ynylsulfanylethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyclopropyl-N-(2-prop-2-ynylsulfanylethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-cyclopropyl-N-(2-prop-2-ynylsulfanylethyl)-1H-pyrazole-3-carboxamide is C#CCSCCNC(=O)c1n[nH]c(C2CC2)c1N.
What is the InChIKey of 4-amino-5-cyclopropyl-N-(2-prop-2-ynylsulfanylethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is VGJYGIXQOSOJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-2-6-18-7-5-14-12(17)11-9(13)10(15-16-11)8-3-4-8/h1,8H,3-7,13H2,(H,14,17)(H,15,16).
What are the key properties of 4-amino-5-cyclopropyl-N-(2-prop-2-ynylsulfanylethyl)-1H-pyrazole-3-carboxamide?
4-amino-5-cyclopropyl-N-(2-prop-2-ynylsulfanylethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 0.97, 6 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-prop-2-ynylsulfanylethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 106425250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).