N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-cyclopropylpiperidin-4-amine

C22H24ClN5 — CID 11538447

IUPACN-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-cyclopropylpiperidin-4-amine
SMILESClc1ccc(-c2[nH]nc(NC3CCN(C4CC4)CC3)c2-c2ccncc2)cc1
InChIInChI=1S/C22H24ClN5/c23-17-3-1-16(2-4-17)21-20(15-7-11-24-12-8-15)22(27-26-21)25-18-9-13-28(14-10-18)19-5-6-19/h1-4,7-8,11-12,18-19H,5-6,9-10,13-14H2,(H2,25,26,27)
InChIKeyYWYLHYCFXGEMCP-UHFFFAOYSA-N
MW393.92 g/mol
LogP4.83
Rot. Bonds5

About N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-cyclopropylpiperidin-4-amine

N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-cyclopropylpiperidin-4-amine (PubChem CID 11538447) has the molecular formula C22H24ClN5 and a molecular weight of 393.92 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-cyclopropylpiperidin-4-amine.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-cyclopropylpiperidin-4-amine
PubChem CID11538447
Molecular FormulaC22H24ClN5
Molecular Weight393.92 g/mol
Exact Mass393.17
IUPAC NameN-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-cyclopropylpiperidin-4-amine
SMILESClc1ccc(-c2[nH]nc(NC3CCN(C4CC4)CC3)c2-c2ccncc2)cc1
InChIInChI=1S/C22H24ClN5/c23-17-3-1-16(2-4-17)21-20(15-7-11-24-12-8-15)22(27-26-21)25-18-9-13-28(14-10-18)19-5-6-19/h1-4,7-8,11-12,18-19H,5-6,9-10,13-14H2,(H2,25,26,27)
InChIKeyYWYLHYCFXGEMCP-UHFFFAOYSA-N
XLogP4.83
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.83
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-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-cyclopropylpiperazine
CID 22037242
5-(4-chlorophenyl)-N-cyclopropyl-4-methyl-1H-pyrazol-3-amine
CID 63049011
4-[5-(4-chlorophenyl)-3-(1-methylpiperidin-4-yl)oxy-1H-pyrazol-4-yl]pyridine
CID 22037499
N-cyclopropyl-4,5-diphenyl-1H-pyrazol-3-amine
CID 63048856
4-[5-(4-chlorophenyl)-3-cyclopentyloxy-1H-pyrazol-4-yl]pyridine
CID 20660576
1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-amine
CID 57304022
N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine
CID 22954129
4-[5-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine
CID 22037711
1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylhydrazine
CID 174435150
2-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,4-dihydro-1H-isoquinoline
CID 22953665
4-[5-(4-chlorophenyl)-3-ethynylsulfanyl-1H-pyrazol-4-yl]pyridine
CID 20735824

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-cyclopropylpiperidin-4-amine?
The IUPAC name of N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-cyclopropylpiperidin-4-amine (CID 11538447) is N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-cyclopropylpiperidin-4-amine.
What is the SMILES notation for N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-cyclopropylpiperidin-4-amine?
The canonical SMILES for N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-cyclopropylpiperidin-4-amine is Clc1ccc(-c2[nH]nc(NC3CCN(C4CC4)CC3)c2-c2ccncc2)cc1.
What is the InChIKey of N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-cyclopropylpiperidin-4-amine?
The InChIKey is YWYLHYCFXGEMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5/c23-17-3-1-16(2-4-17)21-20(15-7-11-24-12-8-15)22(27-26-21)25-18-9-13-28(14-10-18)19-5-6-19/h1-4,7-8,11-12,18-19H,5-6,9-10,13-14H2,(H2,25,26,27).
What are the key properties of N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-cyclopropylpiperidin-4-amine?
N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-cyclopropylpiperidin-4-amine has a molecular weight of 393.92 g/mol, XLogP of 4.83, 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-pyridin-4-yl-1H-pyrazol-3-yl]-1-cyclopropylpiperidin-4-amine is sourced from PubChem (CID 11538447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).