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

C10H13ClF3N5 — CID 126967785

IUPAC1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-3-amine;hydrochloride
SMILESCl.Cn1ccc(NCc2cc(C(F)(F)F)nn2C)n1
InChIInChI=1S/C10H12F3N5.ClH/c1-17-4-3-9(16-17)14-6-7-5-8(10(11,12)13)15-18(7)2;/h3-5H,6H2,1-2H3,(H,14,16);1H
InChIKeyBYEKMPYOECFTTB-UHFFFAOYSA-N
MW295.70 g/mol
LogP2.21
Rot. Bonds3

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

1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-3-amine;hydrochloride (PubChem CID 126967785) has the molecular formula C10H13ClF3N5 and a molecular weight of 295.70 g/mol. Its IUPAC name is 1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-3-amine;hydrochloride
PubChem CID126967785
Molecular FormulaC10H13ClF3N5
Molecular Weight295.70 g/mol
Exact Mass295.08
IUPAC Name1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-3-amine;hydrochloride
SMILESCl.Cn1ccc(NCc2cc(C(F)(F)F)nn2C)n1
InChIInChI=1S/C10H12F3N5.ClH/c1-17-4-3-9(16-17)14-6-7-5-8(10(11,12)13)15-18(7)2;/h3-5H,6H2,1-2H3,(H,14,16);1H
InChIKeyBYEKMPYOECFTTB-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-difluoro-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]aniline
CID 19626174
1-(2,5-dimethylpyrazol-3-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine
CID 122166754
N-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-3-amine
CID 165343641
2-methoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]aniline
CID 19626168
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-methylpyrazol-3-amine;hydrochloride
CID 126966257
2-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]isoindole-1,3-dione
CID 138020713
2-N-ethyl-6-N-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718897
N-[(4-iodophenyl)methyl]-1-methylpyrazol-3-amine
CID 79778850
N-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 79778691
1-(difluoromethyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 122166773
[2-chloro-3-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]phenyl]methanol
CID 138020728
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562824

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-3-amine;hydrochloride?
The IUPAC name of 1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-3-amine;hydrochloride (CID 126967785) is 1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-3-amine;hydrochloride?
The canonical SMILES for 1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-3-amine;hydrochloride is Cl.Cn1ccc(NCc2cc(C(F)(F)F)nn2C)n1.
What is the InChIKey of 1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-3-amine;hydrochloride?
The InChIKey is BYEKMPYOECFTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5.ClH/c1-17-4-3-9(16-17)14-6-7-5-8(10(11,12)13)15-18(7)2;/h3-5H,6H2,1-2H3,(H,14,16);1H.
What are the key properties of 1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-3-amine;hydrochloride?
1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-3-amine;hydrochloride has a molecular weight of 295.70 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 126967785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).