1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)-2-methylpropan-1-amine

C16H21ClFN3 — CID 114653139

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)-2-methylpropan-1-amine
SMILESCCNC(c1c(Cl)cnn1C)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C16H21ClFN3/c1-5-19-15(14-13(17)10-20-21(14)4)16(2,3)11-6-8-12(18)9-7-11/h6-10,15,19H,5H2,1-4H3
InChIKeyRSADQFSMZLMIKY-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.84
Rot. Bonds5

About 1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)-2-methylpropan-1-amine

1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)-2-methylpropan-1-amine (PubChem CID 114653139) has the molecular formula C16H21ClFN3 and a molecular weight of 309.82 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)-2-methylpropan-1-amine
PubChem CID114653139
Molecular FormulaC16H21ClFN3
Molecular Weight309.82 g/mol
Exact Mass309.14
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)-2-methylpropan-1-amine
SMILESCCNC(c1c(Cl)cnn1C)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C16H21ClFN3/c1-5-19-15(14-13(17)10-20-21(14)4)16(2,3)11-6-8-12(18)9-7-11/h6-10,15,19H,5H2,1-4H3
InChIKeyRSADQFSMZLMIKY-UHFFFAOYSA-N
XLogP3.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-phenyl-N-propylpropan-1-amine
CID 114650522
1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 114653131
N-ethyl-2-(4-fluorophenyl)-2-methyl-1-(1-methylpyrazol-3-yl)propan-1-amine
CID 103130885
3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylbutan-2-amine
CID 114662988
2-(2-chloro-4-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylethanamine
CID 114650423
N-ethyl-2-(4-fluorophenyl)-2-methyl-1-phenylpropan-1-amine
CID 64769741
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 114658003
N-ethyl-1-(1-ethylimidazol-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-amine
CID 64768372
N-[(4-chloro-1-methylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 114648823
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylhexan-1-amine
CID 105046403
1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114656648
[1-(4-chloro-1-methylpyrazol-5-yl)-2-ethyl-2-phenylbutyl]hydrazine
CID 105217742

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)-2-methylpropan-1-amine?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)-2-methylpropan-1-amine (CID 114653139) is 1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)-2-methylpropan-1-amine is CCNC(c1c(Cl)cnn1C)C(C)(C)c1ccc(F)cc1.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)-2-methylpropan-1-amine?
The InChIKey is RSADQFSMZLMIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFN3/c1-5-19-15(14-13(17)10-20-21(14)4)16(2,3)11-6-8-12(18)9-7-11/h6-10,15,19H,5H2,1-4H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)-2-methylpropan-1-amine?
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)-2-methylpropan-1-amine has a molecular weight of 309.82 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 114653139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).