[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride

C10H13ClF3N5 — CID 146193978

IUPAC[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride
SMILESCl.Cn1nc(Cn2cc(CN)cn2)cc1C(F)(F)F
InChIInChI=1S/C10H12F3N5.ClH/c1-17-9(10(11,12)13)2-8(16-17)6-18-5-7(3-14)4-15-18;/h2,4-5H,3,6,14H2,1H3;1H
InChIKeyVFIWLOIOCPNZAB-UHFFFAOYSA-N
MW295.70 g/mol
LogP1.56
Rot. Bonds3

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

[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride (PubChem CID 146193978) has the molecular formula C10H13ClF3N5 and a molecular weight of 295.70 g/mol. Its IUPAC name is [1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride
PubChem CID146193978
Molecular FormulaC10H13ClF3N5
Molecular Weight295.70 g/mol
Exact Mass295.08
IUPAC Name[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride
SMILESCl.Cn1nc(Cn2cc(CN)cn2)cc1C(F)(F)F
InChIInChI=1S/C10H12F3N5.ClH/c1-17-9(10(11,12)13)2-8(16-17)6-18-5-7(3-14)4-15-18;/h2,4-5H,3,6,14H2,1H3;1H
InChIKeyVFIWLOIOCPNZAB-UHFFFAOYSA-N
XLogP1.56
TPSA61.66 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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(1-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]propan-1-amine
CID 19614643
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 72043819
2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-1-(4-methyl-1H-pyrazol-1-yl)ethanone
CID 4772550
(1S)-N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 28871074
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]propan-1-amine
CID 52387528
1-(2,2,2-trifluoroethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 84592806
2-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 4773433
2-[3,5-Bis(difluoromethyl)-1H-pyrazol-1-YL]-N~1~-[(1-methyl-1H-pyrazol-4-YL)methyl]acetamide
CID 4773500
1-[[1-Methyl-4-(trifluoromethyl)pyrazol-3-yl]methyl]-3,5-bis(1,1,2,2,2-pentafluoroethyl)pyrazole
CID 90719298
5-methyl-1-[[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]methyl]-3-(trifluoromethyl)pyrazole
CID 91390671
1-Methyl-5-(pyrazol-1-ylmethyl)-3-(trifluoromethyl)pyrazole
CID 91460533
1-Ethyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole
CID 116621340

Frequently Asked Questions

What is the IUPAC name of [1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride (CID 146193978) is [1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride is Cl.Cn1nc(Cn2cc(CN)cn2)cc1C(F)(F)F.
What is the InChIKey of [1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride?
The InChIKey is VFIWLOIOCPNZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5.ClH/c1-17-9(10(11,12)13)2-8(16-17)6-18-5-7(3-14)4-15-18;/h2,4-5H,3,6,14H2,1H3;1H.
What are the key properties of [1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride?
[1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride has a molecular weight of 295.70 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 146193978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).