1-(difluoromethyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride

C10H11ClF5N5 — CID 126964934

IUPAC1-(difluoromethyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride
SMILESCl.Cn1ncc(CNc2ccn(C(F)F)n2)c1C(F)(F)F
InChIInChI=1S/C10H10F5N5.ClH/c1-19-8(10(13,14)15)6(5-17-19)4-16-7-2-3-20(18-7)9(11)12;/h2-3,5,9H,4H2,1H3,(H,16,18);1H
InChIKeyGUXJTEQCLJDMMV-UHFFFAOYSA-N
MW331.68 g/mol
LogP3.06
Rot. Bonds4

About 1-(difluoromethyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride

1-(difluoromethyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride (PubChem CID 126964934) has the molecular formula C10H11ClF5N5 and a molecular weight of 331.68 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride
PubChem CID126964934
Molecular FormulaC10H11ClF5N5
Molecular Weight331.68 g/mol
Exact Mass331.06
IUPAC Name1-(difluoromethyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride
SMILESCl.Cn1ncc(CNc2ccn(C(F)F)n2)c1C(F)(F)F
InChIInChI=1S/C10H10F5N5.ClH/c1-19-8(10(13,14)15)6(5-17-19)4-16-7-2-3-20(18-7)9(11)12;/h2-3,5,9H,4H2,1H3,(H,16,18);1H
InChIKeyGUXJTEQCLJDMMV-UHFFFAOYSA-N
XLogP3.06
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.68
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride?
The IUPAC name of 1-(difluoromethyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride (CID 126964934) is 1-(difluoromethyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 1-(difluoromethyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride?
The canonical SMILES for 1-(difluoromethyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride is Cl.Cn1ncc(CNc2ccn(C(F)F)n2)c1C(F)(F)F.
What is the InChIKey of 1-(difluoromethyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride?
The InChIKey is GUXJTEQCLJDMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5N5.ClH/c1-19-8(10(13,14)15)6(5-17-19)4-16-7-2-3-20(18-7)9(11)12;/h2-3,5,9H,4H2,1H3,(H,16,18);1H.
What are the key properties of 1-(difluoromethyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride?
1-(difluoromethyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride has a molecular weight of 331.68 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 126964934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).