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

C12H17ClF3N5 — CID 126968345

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine;hydrochloride
SMILESCc1cnn(C)c1CNCc1cc(C(F)(F)F)n(C)n1.Cl
InChIInChI=1S/C12H16F3N5.ClH/c1-8-5-17-19(2)10(8)7-16-6-9-4-11(12(13,14)15)20(3)18-9;/h4-5,16H,6-7H2,1-3H3;1H
InChIKeyAZCUZDRDPNFLGW-UHFFFAOYSA-N
MW323.75 g/mol
LogP2.19
Rot. Bonds4

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

N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine;hydrochloride (PubChem CID 126968345) has the molecular formula C12H17ClF3N5 and a molecular weight of 323.75 g/mol. Its IUPAC name is N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine;hydrochloride
PubChem CID126968345
Molecular FormulaC12H17ClF3N5
Molecular Weight323.75 g/mol
Exact Mass323.11
IUPAC NameN-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine;hydrochloride
SMILESCc1cnn(C)c1CNCc1cc(C(F)(F)F)n(C)n1.Cl
InChIInChI=1S/C12H16F3N5.ClH/c1-8-5-17-19(2)10(8)7-16-6-9-4-11(12(13,14)15)20(3)18-9;/h4-5,16H,6-7H2,1-3H3;1H
InChIKeyAZCUZDRDPNFLGW-UHFFFAOYSA-N
XLogP2.19
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine;hydrochloride?
The IUPAC name of N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine;hydrochloride (CID 126968345) is N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine;hydrochloride.
What is the SMILES notation for N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine;hydrochloride?
The canonical SMILES for N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine;hydrochloride is Cc1cnn(C)c1CNCc1cc(C(F)(F)F)n(C)n1.Cl.
What is the InChIKey of N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine;hydrochloride?
The InChIKey is AZCUZDRDPNFLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5.ClH/c1-8-5-17-19(2)10(8)7-16-6-9-4-11(12(13,14)15)20(3)18-9;/h4-5,16H,6-7H2,1-3H3;1H.
What are the key properties of N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine;hydrochloride?
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine;hydrochloride has a molecular weight of 323.75 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 126968345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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