1-(2,2-difluoroethyl)-N-(1,3-thiazol-5-ylmethyl)pyrazol-3-amine

C9H10F2N4S — CID 115735756

IUPAC1-(2,2-difluoroethyl)-N-(1,3-thiazol-5-ylmethyl)pyrazol-3-amine
SMILESFC(F)Cn1ccc(NCc2cncs2)n1
InChIInChI=1S/C9H10F2N4S/c10-8(11)5-15-2-1-9(14-15)13-4-7-3-12-6-16-7/h1-3,6,8H,4-5H2,(H,13,14)
InChIKeyURZZWVIEDRBAMR-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.22
Rot. Bonds5

About 1-(2,2-difluoroethyl)-N-(1,3-thiazol-5-ylmethyl)pyrazol-3-amine

1-(2,2-difluoroethyl)-N-(1,3-thiazol-5-ylmethyl)pyrazol-3-amine (PubChem CID 115735756) has the molecular formula C9H10F2N4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(1,3-thiazol-5-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(1,3-thiazol-5-ylmethyl)pyrazol-3-amine
PubChem CID115735756
Molecular FormulaC9H10F2N4S
Molecular Weight244.27 g/mol
Exact Mass244.06
IUPAC Name1-(2,2-difluoroethyl)-N-(1,3-thiazol-5-ylmethyl)pyrazol-3-amine
SMILESFC(F)Cn1ccc(NCc2cncs2)n1
InChIInChI=1S/C9H10F2N4S/c10-8(11)5-15-2-1-9(14-15)13-4-7-3-12-6-16-7/h1-3,6,8H,4-5H2,(H,13,14)
InChIKeyURZZWVIEDRBAMR-UHFFFAOYSA-N
XLogP2.22
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-thiazol-2-yl)-1H-pyrazol-3-amine
CID 61177157
[2-(1H-pyrazol-1-yl)-1,3-thiazol-5-yl]methanamine hydrochloride
CID 126697411
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxypropyl)pyrazol-3-amine
CID 71918464
1-[(1,3-thiazol-5-yl)methyl]-1H-pyrazol-3-amine
CID 112640510
methyl({[2-(1H-pyrazol-1-yl)-1,3-thiazol-5-yl]methyl})amine
CID 130569346
1-Methyl-N-((2-methylthiazol-4-yl)methyl)-1H-pyrazol-3-amine
CID 60809807
5-(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine
CID 71848636
1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine
CID 71971940
1-[2-(1H-pyrazol-1-yl)-1,3-thiazol-5-yl]methanamine
CID 126697412
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine
CID 139295157
N,N-bis[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine
CID 139295161
1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine
CID 142604461

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-(1,3-thiazol-5-ylmethyl)pyrazol-3-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(1,3-thiazol-5-ylmethyl)pyrazol-3-amine (CID 115735756) is 1-(2,2-difluoroethyl)-N-(1,3-thiazol-5-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(1,3-thiazol-5-ylmethyl)pyrazol-3-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(1,3-thiazol-5-ylmethyl)pyrazol-3-amine is FC(F)Cn1ccc(NCc2cncs2)n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(1,3-thiazol-5-ylmethyl)pyrazol-3-amine?
The InChIKey is URZZWVIEDRBAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N4S/c10-8(11)5-15-2-1-9(14-15)13-4-7-3-12-6-16-7/h1-3,6,8H,4-5H2,(H,13,14).
What are the key properties of 1-(2,2-difluoroethyl)-N-(1,3-thiazol-5-ylmethyl)pyrazol-3-amine?
1-(2,2-difluoroethyl)-N-(1,3-thiazol-5-ylmethyl)pyrazol-3-amine has a molecular weight of 244.27 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-(1,3-thiazol-5-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 115735756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).