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

C13H21F2N3 — CID 114223765

IUPACN-[(3,3-difluorocyclohexyl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NCC1CCCC(F)(F)C1
InChIInChI=1S/C13H21F2N3/c1-11(10-18-7-3-6-17-18)16-9-12-4-2-5-13(14,15)8-12/h3,6-7,11-12,16H,2,4-5,8-10H2,1H3
InChIKeyVNXVJVDPSORQMT-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.69
Rot. Bonds5

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

N-[(3,3-difluorocyclohexyl)methyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 114223765) has the molecular formula C13H21F2N3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[(3,3-difluorocyclohexyl)methyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(3,3-difluorocyclohexyl)methyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID114223765
Molecular FormulaC13H21F2N3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN-[(3,3-difluorocyclohexyl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NCC1CCCC(F)(F)C1
InChIInChI=1S/C13H21F2N3/c1-11(10-18-7-3-6-17-18)16-9-12-4-2-5-13(14,15)8-12/h3,6-7,11-12,16H,2,4-5,8-10H2,1H3
InChIKeyVNXVJVDPSORQMT-UHFFFAOYSA-N
XLogP2.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclohexyl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of N-[(3,3-difluorocyclohexyl)methyl]-1-pyrazol-1-ylpropan-2-amine (CID 114223765) is N-[(3,3-difluorocyclohexyl)methyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[(3,3-difluorocyclohexyl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for N-[(3,3-difluorocyclohexyl)methyl]-1-pyrazol-1-ylpropan-2-amine is CC(Cn1cccn1)NCC1CCCC(F)(F)C1.
What is the InChIKey of N-[(3,3-difluorocyclohexyl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is VNXVJVDPSORQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N3/c1-11(10-18-7-3-6-17-18)16-9-12-4-2-5-13(14,15)8-12/h3,6-7,11-12,16H,2,4-5,8-10H2,1H3.
What are the key properties of N-[(3,3-difluorocyclohexyl)methyl]-1-pyrazol-1-ylpropan-2-amine?
N-[(3,3-difluorocyclohexyl)methyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 257.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclohexyl)methyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 114223765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).