N-[[1-cyclohexyl-5-(difluoromethyl)pyrazol-4-yl]methyl]propan-1-amine

C14H23F2N3 — CID 66441544

IUPACN-[[1-cyclohexyl-5-(difluoromethyl)pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cnn(C2CCCCC2)c1C(F)F
InChIInChI=1S/C14H23F2N3/c1-2-8-17-9-11-10-18-19(13(11)14(15)16)12-6-4-3-5-7-12/h10,12,14,17H,2-9H2,1H3
InChIKeyPSVAHYXTZGVNDA-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.83
Rot. Bonds6

About N-[[1-cyclohexyl-5-(difluoromethyl)pyrazol-4-yl]methyl]propan-1-amine

N-[[1-cyclohexyl-5-(difluoromethyl)pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 66441544) has the molecular formula C14H23F2N3 and a molecular weight of 271.35 g/mol. Its IUPAC name is N-[[1-cyclohexyl-5-(difluoromethyl)pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-cyclohexyl-5-(difluoromethyl)pyrazol-4-yl]methyl]propan-1-amine
PubChem CID66441544
Molecular FormulaC14H23F2N3
Molecular Weight271.35 g/mol
Exact Mass271.19
IUPAC NameN-[[1-cyclohexyl-5-(difluoromethyl)pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cnn(C2CCCCC2)c1C(F)F
InChIInChI=1S/C14H23F2N3/c1-2-8-17-9-11-10-18-19(13(11)14(15)16)12-6-4-3-5-7-12/h10,12,14,17H,2-9H2,1H3
InChIKeyPSVAHYXTZGVNDA-UHFFFAOYSA-N
XLogP3.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66440943
[1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methanol
CID 66438121
1-(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)-N-methylmethanamine
CID 66442749
N-[(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 66440539
2-[5-methyl-4-(propylaminomethyl)pyrazol-1-yl]cycloheptan-1-ol
CID 62713391
N-[(1-cycloheptyl-5-propylpyrazol-4-yl)methyl]propan-2-amine
CID 66440336
N-[[5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-yl]methyl]propan-1-amine
CID 66439707
N-[(1-cycloheptyl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 66442547
N-[(1-ethyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 66440933
N-[[1-(1,1-dioxothiolan-3-yl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]propan-1-amine
CID 66441292
1-cyclopropyl-5-(difluoromethyl)-4-propan-2-ylpyrazole
CID 169167177
N-[[1-(1-cyclopropylethyl)-5-ethylpyrazol-4-yl]methyl]propan-1-amine
CID 66442564

Frequently Asked Questions

What is the IUPAC name of N-[[1-cyclohexyl-5-(difluoromethyl)pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-cyclohexyl-5-(difluoromethyl)pyrazol-4-yl]methyl]propan-1-amine (CID 66441544) is N-[[1-cyclohexyl-5-(difluoromethyl)pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-cyclohexyl-5-(difluoromethyl)pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-cyclohexyl-5-(difluoromethyl)pyrazol-4-yl]methyl]propan-1-amine is CCCNCc1cnn(C2CCCCC2)c1C(F)F.
What is the InChIKey of N-[[1-cyclohexyl-5-(difluoromethyl)pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is PSVAHYXTZGVNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N3/c1-2-8-17-9-11-10-18-19(13(11)14(15)16)12-6-4-3-5-7-12/h10,12,14,17H,2-9H2,1H3.
What are the key properties of N-[[1-cyclohexyl-5-(difluoromethyl)pyrazol-4-yl]methyl]propan-1-amine?
N-[[1-cyclohexyl-5-(difluoromethyl)pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 271.35 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-cyclohexyl-5-(difluoromethyl)pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 66441544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).