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

C10H13ClF3N5 — CID 175099407

IUPACN-methyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride
SMILESCNc1cnn(Cc2cn(C)nc2C(F)(F)F)c1.Cl
InChIInChI=1S/C10H12F3N5.ClH/c1-14-8-3-15-18(6-8)5-7-4-17(2)16-9(7)10(11,12)13;/h3-4,6,14H,5H2,1-2H3;1H
InChIKeyFKLJJODFPSUFEF-UHFFFAOYSA-N
MW295.70 g/mol
LogP2.15
Rot. Bonds3

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

N-methyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride (PubChem CID 175099407) has the molecular formula C10H13ClF3N5 and a molecular weight of 295.70 g/mol. Its IUPAC name is N-methyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride
PubChem CID175099407
Molecular FormulaC10H13ClF3N5
Molecular Weight295.70 g/mol
Exact Mass295.08
IUPAC NameN-methyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride
SMILESCNc1cnn(Cc2cn(C)nc2C(F)(F)F)c1.Cl
InChIInChI=1S/C10H12F3N5.ClH/c1-14-8-3-15-18(6-8)5-7-4-17(2)16-9(7)10(11,12)13;/h3-4,6,14H,5H2,1-2H3;1H
InChIKeyFKLJJODFPSUFEF-UHFFFAOYSA-N
XLogP2.15
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride?
The IUPAC name of N-methyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride (CID 175099407) is N-methyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride?
The canonical SMILES for N-methyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride is CNc1cnn(Cc2cn(C)nc2C(F)(F)F)c1.Cl.
What is the InChIKey of N-methyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride?
The InChIKey is FKLJJODFPSUFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5.ClH/c1-14-8-3-15-18(6-8)5-7-4-17(2)16-9(7)10(11,12)13;/h3-4,6,14H,5H2,1-2H3;1H.
What are the key properties of N-methyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride?
N-methyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride has a molecular weight of 295.70 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 175099407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).