N-[(3,3-difluorocyclopentyl)methyl]-1-pyrazol-1-ylpropan-2-amine

C12H19F2N3 — CID 114150613

IUPACN-[(3,3-difluorocyclopentyl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NCC1CCC(F)(F)C1
InChIInChI=1S/C12H19F2N3/c1-10(9-17-6-2-5-16-17)15-8-11-3-4-12(13,14)7-11/h2,5-6,10-11,15H,3-4,7-9H2,1H3
InChIKeyBVVJCIQVRMFDDB-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.30
Rot. Bonds5

About N-[(3,3-difluorocyclopentyl)methyl]-1-pyrazol-1-ylpropan-2-amine

N-[(3,3-difluorocyclopentyl)methyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 114150613) has the molecular formula C12H19F2N3 and a molecular weight of 243.30 g/mol. Its IUPAC name is N-[(3,3-difluorocyclopentyl)methyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(3,3-difluorocyclopentyl)methyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID114150613
Molecular FormulaC12H19F2N3
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC NameN-[(3,3-difluorocyclopentyl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NCC1CCC(F)(F)C1
InChIInChI=1S/C12H19F2N3/c1-10(9-17-6-2-5-16-17)15-8-11-3-4-12(13,14)7-11/h2,5-6,10-11,15H,3-4,7-9H2,1H3
InChIKeyBVVJCIQVRMFDDB-UHFFFAOYSA-N
XLogP2.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclopentyl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of N-[(3,3-difluorocyclopentyl)methyl]-1-pyrazol-1-ylpropan-2-amine (CID 114150613) is N-[(3,3-difluorocyclopentyl)methyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[(3,3-difluorocyclopentyl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for N-[(3,3-difluorocyclopentyl)methyl]-1-pyrazol-1-ylpropan-2-amine is CC(Cn1cccn1)NCC1CCC(F)(F)C1.
What is the InChIKey of N-[(3,3-difluorocyclopentyl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is BVVJCIQVRMFDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3/c1-10(9-17-6-2-5-16-17)15-8-11-3-4-12(13,14)7-11/h2,5-6,10-11,15H,3-4,7-9H2,1H3.
What are the key properties of N-[(3,3-difluorocyclopentyl)methyl]-1-pyrazol-1-ylpropan-2-amine?
N-[(3,3-difluorocyclopentyl)methyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 243.30 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclopentyl)methyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 114150613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).