N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine

C22H28ClN5 — CID 22954129

IUPACN-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(Nc2n[nH]c(-c3ccc(Cl)cc3)c2C2=CC=NCC2)CC1
InChIInChI=1S/C22H28ClN5/c1-15(2)28-13-9-19(10-14-28)25-22-20(16-7-11-24-12-8-16)21(26-27-22)17-3-5-18(23)6-4-17/h3-7,11,15,19H,8-10,12-14H2,1-2H3,(H2,25,26,27)
InChIKeyHRNIWNAYLQTKJC-UHFFFAOYSA-N
MW397.95 g/mol
LogP4.87
Rot. Bonds5

About N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine

N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine (PubChem CID 22954129) has the molecular formula C22H28ClN5 and a molecular weight of 397.95 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine
PubChem CID22954129
Molecular FormulaC22H28ClN5
Molecular Weight397.95 g/mol
Exact Mass397.20
IUPAC NameN-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(Nc2n[nH]c(-c3ccc(Cl)cc3)c2C2=CC=NCC2)CC1
InChIInChI=1S/C22H28ClN5/c1-15(2)28-13-9-19(10-14-28)25-22-20(16-7-11-24-12-8-16)21(26-27-22)17-3-5-18(23)6-4-17/h3-7,11,15,19H,8-10,12-14H2,1-2H3,(H2,25,26,27)
InChIKeyHRNIWNAYLQTKJC-UHFFFAOYSA-N
XLogP4.87
TPSA56.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-cyclopropylpiperidin-4-amine
CID 23559286
1-[4-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]ethanone
CID 23559195
5-(4-chlorophenyl)-N-cyclopropyl-4-methyl-1H-pyrazol-3-amine
CID 63049011
N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-cyclopropylpiperidin-4-amine
CID 11538447
N-[3-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-2,3-dihydro-1H-pyrazol-5-yl]-1-prop-2-enylpiperidin-4-amine
CID 163783268
N-(5-chloro-2-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 65073026
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-propan-2-ylazepan-4-amine
CID 81353013
4-[5-(4-chlorophenyl)-3-(1-methylpiperidin-4-yl)oxy-1H-pyrazol-4-yl]pyridine
CID 22037499
N-(5-bromo-2-fluorophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43555455
N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 51091043
N-(5-fluoro-2-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 65073150
3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236690

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine (CID 22954129) is N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(Nc2n[nH]c(-c3ccc(Cl)cc3)c2C2=CC=NCC2)CC1.
What is the InChIKey of N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine?
The InChIKey is HRNIWNAYLQTKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN5/c1-15(2)28-13-9-19(10-14-28)25-22-20(16-7-11-24-12-8-16)21(26-27-22)17-3-5-18(23)6-4-17/h3-7,11,15,19H,8-10,12-14H2,1-2H3,(H2,25,26,27).
What are the key properties of N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine?
N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine has a molecular weight of 397.95 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 22954129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).