N-[5-(4-fluorophenyl)-4-(2-methyl-1,2-dihydropyridin-4-yl)-1H-pyrazol-3-yl]piperidin-4-amine

C20H24FN5 — CID 71165917

IUPACN-[5-(4-fluorophenyl)-4-(2-methyl-1,2-dihydropyridin-4-yl)-1H-pyrazol-3-yl]piperidin-4-amine
SMILESCC1C=C(c2c(NC3CCNCC3)n[nH]c2-c2ccc(F)cc2)C=CN1
InChIInChI=1S/C20H24FN5/c1-13-12-15(6-11-23-13)18-19(14-2-4-16(21)5-3-14)25-26-20(18)24-17-7-9-22-10-8-17/h2-6,11-13,17,22-23H,7-10H2,1H3,(H2,24,25,26)
InChIKeyLIIJNHAPQBCNKL-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.27
Rot. Bonds4

About N-[5-(4-fluorophenyl)-4-(2-methyl-1,2-dihydropyridin-4-yl)-1H-pyrazol-3-yl]piperidin-4-amine

N-[5-(4-fluorophenyl)-4-(2-methyl-1,2-dihydropyridin-4-yl)-1H-pyrazol-3-yl]piperidin-4-amine (PubChem CID 71165917) has the molecular formula C20H24FN5 and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-4-(2-methyl-1,2-dihydropyridin-4-yl)-1H-pyrazol-3-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-4-(2-methyl-1,2-dihydropyridin-4-yl)-1H-pyrazol-3-yl]piperidin-4-amine
PubChem CID71165917
Molecular FormulaC20H24FN5
Molecular Weight353.44 g/mol
Exact Mass353.20
IUPAC NameN-[5-(4-fluorophenyl)-4-(2-methyl-1,2-dihydropyridin-4-yl)-1H-pyrazol-3-yl]piperidin-4-amine
SMILESCC1C=C(c2c(NC3CCNCC3)n[nH]c2-c2ccc(F)cc2)C=CN1
InChIInChI=1S/C20H24FN5/c1-13-12-15(6-11-23-13)18-19(14-2-4-16(21)5-3-14)25-26-20(18)24-17-7-9-22-10-8-17/h2-6,11-13,17,22-23H,7-10H2,1H3,(H2,24,25,26)
InChIKeyLIIJNHAPQBCNKL-UHFFFAOYSA-N
XLogP3.27
TPSA64.77 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-4-(2-methyl-1,2-dihydropyridin-4-yl)-1H-pyrazol-3-yl]piperidin-4-amine?
The IUPAC name of N-[5-(4-fluorophenyl)-4-(2-methyl-1,2-dihydropyridin-4-yl)-1H-pyrazol-3-yl]piperidin-4-amine (CID 71165917) is N-[5-(4-fluorophenyl)-4-(2-methyl-1,2-dihydropyridin-4-yl)-1H-pyrazol-3-yl]piperidin-4-amine.
What is the SMILES notation for N-[5-(4-fluorophenyl)-4-(2-methyl-1,2-dihydropyridin-4-yl)-1H-pyrazol-3-yl]piperidin-4-amine?
The canonical SMILES for N-[5-(4-fluorophenyl)-4-(2-methyl-1,2-dihydropyridin-4-yl)-1H-pyrazol-3-yl]piperidin-4-amine is CC1C=C(c2c(NC3CCNCC3)n[nH]c2-c2ccc(F)cc2)C=CN1.
What is the InChIKey of N-[5-(4-fluorophenyl)-4-(2-methyl-1,2-dihydropyridin-4-yl)-1H-pyrazol-3-yl]piperidin-4-amine?
The InChIKey is LIIJNHAPQBCNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5/c1-13-12-15(6-11-23-13)18-19(14-2-4-16(21)5-3-14)25-26-20(18)24-17-7-9-22-10-8-17/h2-6,11-13,17,22-23H,7-10H2,1H3,(H2,24,25,26).
What are the key properties of N-[5-(4-fluorophenyl)-4-(2-methyl-1,2-dihydropyridin-4-yl)-1H-pyrazol-3-yl]piperidin-4-amine?
N-[5-(4-fluorophenyl)-4-(2-methyl-1,2-dihydropyridin-4-yl)-1H-pyrazol-3-yl]piperidin-4-amine has a molecular weight of 353.44 g/mol, XLogP of 3.27, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-4-(2-methyl-1,2-dihydropyridin-4-yl)-1H-pyrazol-3-yl]piperidin-4-amine is sourced from PubChem (CID 71165917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).