N-[[5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-yl]methyl]propan-1-amine

C13H16F2N4 — CID 66439707

IUPACN-[[5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cnn(-c2ccncc2)c1C(F)F
InChIInChI=1S/C13H16F2N4/c1-2-5-17-8-10-9-18-19(12(10)13(14)15)11-3-6-16-7-4-11/h3-4,6-7,9,13,17H,2,5,8H2,1H3
InChIKeyGJNRTWRXHBZUCW-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.70
Rot. Bonds6

About N-[[5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-yl]methyl]propan-1-amine

N-[[5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-yl]methyl]propan-1-amine (PubChem CID 66439707) has the molecular formula C13H16F2N4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[[5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-yl]methyl]propan-1-amine
PubChem CID66439707
Molecular FormulaC13H16F2N4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-[[5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cnn(-c2ccncc2)c1C(F)F
InChIInChI=1S/C13H16F2N4/c1-2-5-17-8-10-9-18-19(12(10)13(14)15)11-3-6-16-7-4-11/h3-4,6-7,9,13,17H,2,5,8H2,1H3
InChIKeyGJNRTWRXHBZUCW-UHFFFAOYSA-N
XLogP2.70
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-1-amine
CID 66441251
N-[[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-1-amine
CID 66441063
N-[[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 66440879
N-[[5-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methyl]ethanamine
CID 66440964
N-[[1-cyclohexyl-5-(difluoromethyl)pyrazol-4-yl]methyl]propan-1-amine
CID 66441544
N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]propan-1-amine
CID 66442458
N-[[5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 103294536
N-[[5-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66442168
N-[[1-(4-methylphenyl)-5-propylpyrazol-4-yl]methyl]propan-1-amine
CID 66439641
N-[[5-(difluoromethyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66440673
N-[[5-(difluoromethyl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66440265
N-[(1-ethyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 66440933

Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-yl]methyl]propan-1-amine (CID 66439707) is N-[[5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-yl]methyl]propan-1-amine is CCCNCc1cnn(-c2ccncc2)c1C(F)F.
What is the InChIKey of N-[[5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is GJNRTWRXHBZUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4/c1-2-5-17-8-10-9-18-19(12(10)13(14)15)11-3-6-16-7-4-11/h3-4,6-7,9,13,17H,2,5,8H2,1H3.
What are the key properties of N-[[5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-yl]methyl]propan-1-amine?
N-[[5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 266.30 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 66439707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).