1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine

C15H19ClFN3 — CID 62729801

IUPAC1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cnn(Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C15H19ClFN3/c1-3-15(18-4-2)11-8-19-20(9-11)10-12-13(16)6-5-7-14(12)17/h5-9,15,18H,3-4,10H2,1-2H3
InChIKeyBAWZNMIIPMVXKW-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.78
Rot. Bonds6

About 1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine

1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine (PubChem CID 62729801) has the molecular formula C15H19ClFN3 and a molecular weight of 295.79 g/mol. Its IUPAC name is 1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
PubChem CID62729801
Molecular FormulaC15H19ClFN3
Molecular Weight295.79 g/mol
Exact Mass295.13
IUPAC Name1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cnn(Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C15H19ClFN3/c1-3-15(18-4-2)11-8-19-20(9-11)10-12-13(16)6-5-7-14(12)17/h5-9,15,18H,3-4,10H2,1-2H3
InChIKeyBAWZNMIIPMVXKW-UHFFFAOYSA-N
XLogP3.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62731796
1-[1-[(2,5-difluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62729800
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62731794
N-ethyl-1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 62730349
1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride
CID 17349598
1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 55109411
1-(2-chloro-6-fluorophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 63024204
1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 103041249
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-pyridazin-4-ylethanamine
CID 105105535
ethyl 1-[(2-chloro-6-fluorophenyl)methyl]pyrazole-4-carboxylate
CID 79970020
1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-propylpropan-1-amine
CID 62731798
1-[(2-chloro-3-fluorophenyl)methyl]-4-(1-chloropropyl)pyrazole
CID 112654315

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine (CID 62729801) is 1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine is CCNC(CC)c1cnn(Cc2c(F)cccc2Cl)c1.
What is the InChIKey of 1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine?
The InChIKey is BAWZNMIIPMVXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3/c1-3-15(18-4-2)11-8-19-20(9-11)10-12-13(16)6-5-7-14(12)17/h5-9,15,18H,3-4,10H2,1-2H3.
What are the key properties of 1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine?
1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine has a molecular weight of 295.79 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 62729801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).