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

C22H26ClN5 — CID 23559286

IUPACN-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-cyclopropylpiperidin-4-amine
SMILESClc1ccc(-c2[nH]nc(NC3CCN(C4CC4)CC3)c2C2=CC=NCC2)cc1
InChIInChI=1S/C22H26ClN5/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/h1-4,7,11,18-19H,5-6,8-10,12-14H2,(H2,25,26,27)
InChIKeySYDRQNGGOSOLTP-UHFFFAOYSA-N
MW395.94 g/mol
LogP4.63
Rot. Bonds5

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

N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-cyclopropylpiperidin-4-amine (PubChem CID 23559286) has the molecular formula C22H26ClN5 and a molecular weight of 395.94 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-cyclopropylpiperidin-4-amine.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-cyclopropylpiperidin-4-amine
PubChem CID23559286
Molecular FormulaC22H26ClN5
Molecular Weight395.94 g/mol
Exact Mass395.19
IUPAC NameN-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-cyclopropylpiperidin-4-amine
SMILESClc1ccc(-c2[nH]nc(NC3CCN(C4CC4)CC3)c2C2=CC=NCC2)cc1
InChIInChI=1S/C22H26ClN5/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/h1-4,7,11,18-19H,5-6,8-10,12-14H2,(H2,25,26,27)
InChIKeySYDRQNGGOSOLTP-UHFFFAOYSA-N
XLogP4.63
TPSA56.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.94
LogP ≤ 54.63
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-propan-2-ylpiperidin-4-amine
CID 22954129
N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-cyclopropylpiperidin-4-amine
CID 11538447
5-(4-chlorophenyl)-N-cyclopropyl-4-methyl-1H-pyrazol-3-amine
CID 63049011
1-[4-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]ethanone
CID 23559195
1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-cyclopropylpiperazine
CID 22037242
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclopropylpiperidin-4-amine
CID 43791325
2-[4-(4-chloroanilino)piperidin-1-yl]cyclohexan-1-one
CID 86594083
2-N,3-N-bis(1-cyclopropylpiperidin-4-yl)pyrido[2,3-b]pyrazine-2,3-diamine
CID 133373343
4-[5-(4-chlorophenyl)-3-(1-methylpiperidin-4-yl)oxy-1H-pyrazol-4-yl]pyridine
CID 22037499
1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-amine
CID 57304022
(4-chlorophenyl)-[3-[4-(4-fluoroanilino)piperidin-1-yl]pyrrolidin-1-yl]methanone
CID 143257051
4-[5-(4-chlorophenyl)-3-cyclopentyloxy-1H-pyrazol-4-yl]pyridine
CID 20660576

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-cyclopropylpiperidin-4-amine?
The IUPAC name of N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-cyclopropylpiperidin-4-amine (CID 23559286) is N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-cyclopropylpiperidin-4-amine.
What is the SMILES notation for N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-cyclopropylpiperidin-4-amine?
The canonical SMILES for N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-cyclopropylpiperidin-4-amine is Clc1ccc(-c2[nH]nc(NC3CCN(C4CC4)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-cyclopropylpiperidin-4-amine?
The InChIKey is SYDRQNGGOSOLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5/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/h1-4,7,11,18-19H,5-6,8-10,12-14H2,(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-cyclopropylpiperidin-4-amine?
N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-cyclopropylpiperidin-4-amine has a molecular weight of 395.94 g/mol, XLogP of 4.63, 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-cyclopropylpiperidin-4-amine is sourced from PubChem (CID 23559286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).