1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine

C9H10F2N4S — CID 142604461

IUPAC1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine
SMILESCc1ncc(CNc2ccn(C(F)F)n2)s1
InChIInChI=1S/C9H10F2N4S/c1-6-12-4-7(16-6)5-13-8-2-3-15(14-8)9(10)11/h2-4,9H,5H2,1H3,(H,13,14)
InChIKeyPMUBXUDOYHZZBB-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.66
Rot. Bonds4

About 1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine

1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine (PubChem CID 142604461) has the molecular formula C9H10F2N4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine
PubChem CID142604461
Molecular FormulaC9H10F2N4S
Molecular Weight244.27 g/mol
Exact Mass244.06
IUPAC Name1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine
SMILESCc1ncc(CNc2ccn(C(F)F)n2)s1
InChIInChI=1S/C9H10F2N4S/c1-6-12-4-7(16-6)5-13-8-2-3-15(14-8)9(10)11/h2-4,9H,5H2,1H3,(H,13,14)
InChIKeyPMUBXUDOYHZZBB-UHFFFAOYSA-N
XLogP2.66
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine 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 1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine?
The IUPAC name of 1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine (CID 142604461) is 1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine is Cc1ncc(CNc2ccn(C(F)F)n2)s1.
What is the InChIKey of 1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine?
The InChIKey is PMUBXUDOYHZZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N4S/c1-6-12-4-7(16-6)5-13-8-2-3-15(14-8)9(10)11/h2-4,9H,5H2,1H3,(H,13,14).
What are the key properties of 1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine?
1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine has a molecular weight of 244.27 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 142604461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).