N-propyl-4-(trifluoromethylsulfanyl)-1H-pyrazol-5-amine

C7H10F3N3S — CID 54535075

IUPACN-propyl-4-(trifluoromethylsulfanyl)-1H-pyrazol-5-amine
SMILESCCCNc1[nH]ncc1SC(F)(F)F
InChIInChI=1S/C7H10F3N3S/c1-2-3-11-6-5(4-12-13-6)14-7(8,9)10/h4H,2-3H2,1H3,(H2,11,12,13)
InChIKeyYZFCIFYJWWQZTC-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.84
Rot. Bonds4

About N-propyl-4-(trifluoromethylsulfanyl)-1H-pyrazol-5-amine

N-propyl-4-(trifluoromethylsulfanyl)-1H-pyrazol-5-amine (PubChem CID 54535075) has the molecular formula C7H10F3N3S and a molecular weight of 225.24 g/mol. Its IUPAC name is N-propyl-4-(trifluoromethylsulfanyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-propyl-4-(trifluoromethylsulfanyl)-1H-pyrazol-5-amine
PubChem CID54535075
Molecular FormulaC7H10F3N3S
Molecular Weight225.24 g/mol
Exact Mass225.05
IUPAC NameN-propyl-4-(trifluoromethylsulfanyl)-1H-pyrazol-5-amine
SMILESCCCNc1[nH]ncc1SC(F)(F)F
InChIInChI=1S/C7H10F3N3S/c1-2-3-11-6-5(4-12-13-6)14-7(8,9)10/h4H,2-3H2,1H3,(H2,11,12,13)
InChIKeyYZFCIFYJWWQZTC-UHFFFAOYSA-N
XLogP2.84
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(trifluoromethylsulfanyl)-1H-pyrazol-5-amine?
The IUPAC name of N-propyl-4-(trifluoromethylsulfanyl)-1H-pyrazol-5-amine (CID 54535075) is N-propyl-4-(trifluoromethylsulfanyl)-1H-pyrazol-5-amine.
What is the SMILES notation for N-propyl-4-(trifluoromethylsulfanyl)-1H-pyrazol-5-amine?
The canonical SMILES for N-propyl-4-(trifluoromethylsulfanyl)-1H-pyrazol-5-amine is CCCNc1[nH]ncc1SC(F)(F)F.
What is the InChIKey of N-propyl-4-(trifluoromethylsulfanyl)-1H-pyrazol-5-amine?
The InChIKey is YZFCIFYJWWQZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3S/c1-2-3-11-6-5(4-12-13-6)14-7(8,9)10/h4H,2-3H2,1H3,(H2,11,12,13).
What are the key properties of N-propyl-4-(trifluoromethylsulfanyl)-1H-pyrazol-5-amine?
N-propyl-4-(trifluoromethylsulfanyl)-1H-pyrazol-5-amine has a molecular weight of 225.24 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(trifluoromethylsulfanyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 54535075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).