1-(3,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride

C14H18ClF2N3 — CID 126968095

IUPAC1-(3,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
SMILESCCCn1cc(CNCc2cc(F)cc(F)c2)cn1.Cl
InChIInChI=1S/C14H17F2N3.ClH/c1-2-3-19-10-12(9-18-19)8-17-7-11-4-13(15)6-14(16)5-11;/h4-6,9-10,17H,2-3,7-8H2,1H3;1H
InChIKeyUMVAHWUSCWTXSO-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.28
Rot. Bonds6

About 1-(3,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride

1-(3,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride (PubChem CID 126968095) has the molecular formula C14H18ClF2N3 and a molecular weight of 301.77 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
PubChem CID126968095
Molecular FormulaC14H18ClF2N3
Molecular Weight301.77 g/mol
Exact Mass301.12
IUPAC Name1-(3,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
SMILESCCCn1cc(CNCc2cc(F)cc(F)c2)cn1.Cl
InChIInChI=1S/C14H17F2N3.ClH/c1-2-3-19-10-12(9-18-19)8-17-7-11-4-13(15)6-14(16)5-11;/h4-6,9-10,17H,2-3,7-8H2,1H3;1H
InChIKeyUMVAHWUSCWTXSO-UHFFFAOYSA-N
XLogP3.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]methanamine
CID 122168259
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
1-(2,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103674451
1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126966319
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine
CID 122169108
1-(2,3-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122168314
2-[[(1-propylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride
CID 126965886
1-(2-methylpyrazol-3-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103674015
1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965152
1-[(1-propylpyrazol-4-yl)methylamino]pentan-3-ol
CID 115703165
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine
CID 122167107
2-phenyl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 126966390

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-(3,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride (CID 126968095) is 1-(3,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride is CCCn1cc(CNCc2cc(F)cc(F)c2)cn1.Cl.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride?
The InChIKey is UMVAHWUSCWTXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3.ClH/c1-2-3-19-10-12(9-18-19)8-17-7-11-4-13(15)6-14(16)5-11;/h4-6,9-10,17H,2-3,7-8H2,1H3;1H.
What are the key properties of 1-(3,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride?
1-(3,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride has a molecular weight of 301.77 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 126968095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).