5-(4-fluorophenyl)-N-[(4-propylcyclohexyl)methyl]-1H-pyrazol-3-amine

C19H26FN3 — CID 143937099

IUPAC5-(4-fluorophenyl)-N-[(4-propylcyclohexyl)methyl]-1H-pyrazol-3-amine
SMILESCCCC1CCC(CNc2cc(-c3ccc(F)cc3)[nH]n2)CC1
InChIInChI=1S/C19H26FN3/c1-2-3-14-4-6-15(7-5-14)13-21-19-12-18(22-23-19)16-8-10-17(20)11-9-16/h8-12,14-15H,2-7,13H2,1H3,(H2,21,22,23)
InChIKeyMVMCIQILBFDIHE-UHFFFAOYSA-N
MW315.44 g/mol
LogP5.23
Rot. Bonds6

About 5-(4-fluorophenyl)-N-[(4-propylcyclohexyl)methyl]-1H-pyrazol-3-amine

5-(4-fluorophenyl)-N-[(4-propylcyclohexyl)methyl]-1H-pyrazol-3-amine (PubChem CID 143937099) has the molecular formula C19H26FN3 and a molecular weight of 315.44 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(4-propylcyclohexyl)methyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(4-propylcyclohexyl)methyl]-1H-pyrazol-3-amine
PubChem CID143937099
Molecular FormulaC19H26FN3
Molecular Weight315.44 g/mol
Exact Mass315.21
IUPAC Name5-(4-fluorophenyl)-N-[(4-propylcyclohexyl)methyl]-1H-pyrazol-3-amine
SMILESCCCC1CCC(CNc2cc(-c3ccc(F)cc3)[nH]n2)CC1
InChIInChI=1S/C19H26FN3/c1-2-3-14-4-6-15(7-5-14)13-21-19-12-18(22-23-19)16-8-10-17(20)11-9-16/h8-12,14-15H,2-7,13H2,1H3,(H2,21,22,23)
InChIKeyMVMCIQILBFDIHE-UHFFFAOYSA-N
XLogP5.23
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.44
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(4-propylcyclohexyl)methyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-[(4-propylcyclohexyl)methyl]-1H-pyrazol-3-amine (CID 143937099) is 5-(4-fluorophenyl)-N-[(4-propylcyclohexyl)methyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(4-propylcyclohexyl)methyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(4-propylcyclohexyl)methyl]-1H-pyrazol-3-amine is CCCC1CCC(CNc2cc(-c3ccc(F)cc3)[nH]n2)CC1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(4-propylcyclohexyl)methyl]-1H-pyrazol-3-amine?
The InChIKey is MVMCIQILBFDIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3/c1-2-3-14-4-6-15(7-5-14)13-21-19-12-18(22-23-19)16-8-10-17(20)11-9-16/h8-12,14-15H,2-7,13H2,1H3,(H2,21,22,23).
What are the key properties of 5-(4-fluorophenyl)-N-[(4-propylcyclohexyl)methyl]-1H-pyrazol-3-amine?
5-(4-fluorophenyl)-N-[(4-propylcyclohexyl)methyl]-1H-pyrazol-3-amine has a molecular weight of 315.44 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(4-propylcyclohexyl)methyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 143937099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).