3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine

C11H18FN3 — CID 112562613

IUPAC3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine
SMILESNCC(F)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C11H18FN3/c12-9(8-13)7-10-5-6-15(14-10)11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,13H2
InChIKeyQCDSBZQOUQKWCY-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.84
Rot. Bonds4

About 3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine

3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine (PubChem CID 112562613) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is 3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine.

Molecular Properties

Compound Name3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine
PubChem CID112562613
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC Name3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine
SMILESNCC(F)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C11H18FN3/c12-9(8-13)7-10-5-6-15(14-10)11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,13H2
InChIKeyQCDSBZQOUQKWCY-UHFFFAOYSA-N
XLogP1.84
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-3-(1-cyclopentylpyrazol-3-yl)propan-1-amine
CID 112569583
3-(aminomethyl)-1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-ol
CID 107443067
2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778280
4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
CID 81013541
3-(1-cyclopentylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine
CID 79423832
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 65399634
1-(1-cyclopentylpyrazol-3-yl)-4,4,4-trifluorobutan-2-amine
CID 64777428
(2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid
CID 106702721
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
2-(1-cyclopentylpyrazol-3-yl)-1-(2,6-difluorophenyl)ethanamine
CID 79515283
dimethyl 2-[(1-cyclopentylpyrazol-3-yl)methyl]propanedioate
CID 103972375

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine?
The IUPAC name of 3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine (CID 112562613) is 3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine.
What is the SMILES notation for 3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine?
The canonical SMILES for 3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine is NCC(F)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine?
The InChIKey is QCDSBZQOUQKWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3/c12-9(8-13)7-10-5-6-15(14-10)11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,13H2.
What are the key properties of 3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine?
3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine has a molecular weight of 211.28 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine is sourced from PubChem (CID 112562613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).