cis-(1S,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclopentan-1-amine

C9H14FN3 — CID 130992265

IUPACcis-(1S,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclopentan-1-amine
SMILESF[C@@H]1CCC[C@@H]1NCc1cn[nH]c1
InChIInChI=1S/C9H14FN3/c10-8-2-1-3-9(8)11-4-7-5-12-13-6-7/h5-6,8-9,11H,1-4H2,(H,12,13)/t8-,9+/m1/s1
InChIKeyBLWGGJLGRUIWPV-BDAKNGLRSA-N
MW183.23 g/mol
LogP1.39
Rot. Bonds3

About cis-(1S,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclopentan-1-amine

cis-(1S,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclopentan-1-amine (PubChem CID 130992265) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is cis-(1S,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclopentan-1-amine
PubChem CID130992265
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Namecis-(1S,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclopentan-1-amine
SMILESF[C@@H]1CCC[C@@H]1NCc1cn[nH]c1
InChIInChI=1S/C9H14FN3/c10-8-2-1-3-9(8)11-4-7-5-12-13-6-7/h5-6,8-9,11H,1-4H2,(H,12,13)/t8-,9+/m1/s1
InChIKeyBLWGGJLGRUIWPV-BDAKNGLRSA-N
XLogP1.39
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Difluoro-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 115407117
N-(1H-pyrazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 54897443
N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 62403357
N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 62403540
N-(1H-pyrazol-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 62403541
2,2,2-trifluoro-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 63086463
1,1-difluoro-N-(1H-pyrazol-4-ylmethyl)propan-2-amine
CID 102869224
1,1-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine
CID 106209289
6,6,6-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]hexan-2-amine
CID 113586425
6,6,6-trifluoro-N-(1H-pyrazol-4-ylmethyl)hexan-2-amine
CID 116534621
trans-(1R,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine
CID 130610039
4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1H-pyrazole
CID 130638284

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclopentan-1-amine?
The IUPAC name of cis-(1S,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclopentan-1-amine (CID 130992265) is cis-(1S,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for cis-(1S,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclopentan-1-amine is F[C@@H]1CCC[C@@H]1NCc1cn[nH]c1.
What is the InChIKey of cis-(1S,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclopentan-1-amine?
The InChIKey is BLWGGJLGRUIWPV-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H14FN3/c10-8-2-1-3-9(8)11-4-7-5-12-13-6-7/h5-6,8-9,11H,1-4H2,(H,12,13)/t8-,9+/m1/s1.
What are the key properties of cis-(1S,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclopentan-1-amine?
cis-(1S,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclopentan-1-amine has a molecular weight of 183.23 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 130992265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).