[1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine

C14H16FN3 — CID 116818515

IUPAC[1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine
SMILESCc1cc(C2(CN)CC2)nn1-c1ccc(F)cc1
InChIInChI=1S/C14H16FN3/c1-10-8-13(14(9-16)6-7-14)17-18(10)12-4-2-11(15)3-5-12/h2-5,8H,6-7,9,16H2,1H3
InChIKeyXXBPXATURHFZGR-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.31
Rot. Bonds3

About [1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine

[1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine (PubChem CID 116818515) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is [1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine
PubChem CID116818515
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name[1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine
SMILESCc1cc(C2(CN)CC2)nn1-c1ccc(F)cc1
InChIInChI=1S/C14H16FN3/c1-10-8-13(14(9-16)6-7-14)17-18(10)12-4-2-11(15)3-5-12/h2-5,8H,6-7,9,16H2,1H3
InChIKeyXXBPXATURHFZGR-UHFFFAOYSA-N
XLogP2.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine
CID 116818525
3-(aminomethyl)-1-(4-fluorophenyl)-6-methylpyridazin-4-one
CID 82421897
[2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine
CID 82470262
[1-(5-fluoro-2-pyridinyl)cyclopentyl]methanamine
CID 130544640
2-[1-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine
CID 116818466
[1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120781124
[2-(4-fluorophenyl)pyrazol-3-yl]methanamine
CID 83877731
4-[3-(aminomethyl)-5-methylpyrazol-1-yl]phenol
CID 115022979
[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-piperazin-1-ylmethanone
CID 154744491
[1-(4-bromo-5-methyl-1-phenylpyrazol-3-yl)cyclopropyl]methanamine
CID 116819017
[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
CID 19627300
5-ethyl-2-(4-fluorophenyl)-1,2,4-triazol-3-amine
CID 62679814

Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine?
The IUPAC name of [1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine (CID 116818515) is [1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine?
The canonical SMILES for [1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine is Cc1cc(C2(CN)CC2)nn1-c1ccc(F)cc1.
What is the InChIKey of [1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine?
The InChIKey is XXBPXATURHFZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-10-8-13(14(9-16)6-7-14)17-18(10)12-4-2-11(15)3-5-12/h2-5,8H,6-7,9,16H2,1H3.
What are the key properties of [1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine?
[1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine has a molecular weight of 245.30 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine is sourced from PubChem (CID 116818515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).