N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(3,4-difluorophenyl)methanamine

C16H19F2N3 — CID 64801065

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(3,4-difluorophenyl)methanamine
SMILESFc1ccc(CNCc2ccn(C3CCCC3)n2)cc1F
InChIInChI=1S/C16H19F2N3/c17-15-6-5-12(9-16(15)18)10-19-11-13-7-8-21(20-13)14-3-1-2-4-14/h5-9,14,19H,1-4,10-11H2
InChIKeyJQBUCYPCAMLNDH-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.57
Rot. Bonds5

About N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(3,4-difluorophenyl)methanamine

N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(3,4-difluorophenyl)methanamine (PubChem CID 64801065) has the molecular formula C16H19F2N3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(3,4-difluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(3,4-difluorophenyl)methanamine
PubChem CID64801065
Molecular FormulaC16H19F2N3
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(3,4-difluorophenyl)methanamine
SMILESFc1ccc(CNCc2ccn(C3CCCC3)n2)cc1F
InChIInChI=1S/C16H19F2N3/c17-15-6-5-12(9-16(15)18)10-19-11-13-7-8-21(20-13)14-3-1-2-4-14/h5-9,14,19H,1-4,10-11H2
InChIKeyJQBUCYPCAMLNDH-UHFFFAOYSA-N
XLogP3.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine
CID 103816376
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2-fluorophenyl)ethanamine
CID 64799852
N-[(2-chlorophenyl)methyl]-1-(1-cyclopentylpyrazol-3-yl)methanamine
CID 64801008
2-bromo-5-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]aniline
CID 81280452
1-(1-cyclopentylpyrazol-3-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine
CID 103816375
4-bromo-N-[(1-cyclohexylpyrazol-3-yl)methyl]-3-fluoroaniline
CID 65438089
3-[[(1-cyclohexylpyrazol-3-yl)methylamino]methyl]cyclobutan-1-ol
CID 66004626
(3S,5S)-1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(3,4-difluorophenyl)pyrrolidin-3-ol
CID 129350541
5-bromo-N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-fluoro-2-methylaniline
CID 107592054
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(3-methylphenyl)ethanamine
CID 64801659
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]ethanamine
CID 64776990
3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylpropan-1-amine
CID 113294661

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(3,4-difluorophenyl)methanamine?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(3,4-difluorophenyl)methanamine (CID 64801065) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(3,4-difluorophenyl)methanamine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(3,4-difluorophenyl)methanamine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(3,4-difluorophenyl)methanamine is Fc1ccc(CNCc2ccn(C3CCCC3)n2)cc1F.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(3,4-difluorophenyl)methanamine?
The InChIKey is JQBUCYPCAMLNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3/c17-15-6-5-12(9-16(15)18)10-19-11-13-7-8-21(20-13)14-3-1-2-4-14/h5-9,14,19H,1-4,10-11H2.
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(3,4-difluorophenyl)methanamine?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(3,4-difluorophenyl)methanamine has a molecular weight of 291.35 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(3,4-difluorophenyl)methanamine is sourced from PubChem (CID 64801065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).