1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-cyclopropylpiperazine

C21H22ClN5 — CID 22037242

IUPAC1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-cyclopropylpiperazine
SMILESClc1ccc(-c2[nH]nc(N3CCN(C4CC4)CC3)c2-c2ccncc2)cc1
InChIInChI=1S/C21H22ClN5/c22-17-3-1-16(2-4-17)20-19(15-7-9-23-10-8-15)21(25-24-20)27-13-11-26(12-14-27)18-5-6-18/h1-4,7-10,18H,5-6,11-14H2,(H,24,25)
InChIKeySWLDMOPJPQIOHL-UHFFFAOYSA-N
MW379.89 g/mol
LogP4.08
Rot. Bonds4

About 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-cyclopropylpiperazine

1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-cyclopropylpiperazine (PubChem CID 22037242) has the molecular formula C21H22ClN5 and a molecular weight of 379.89 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-cyclopropylpiperazine.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-cyclopropylpiperazine
PubChem CID22037242
Molecular FormulaC21H22ClN5
Molecular Weight379.89 g/mol
Exact Mass379.16
IUPAC Name1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-cyclopropylpiperazine
SMILESClc1ccc(-c2[nH]nc(N3CCN(C4CC4)CC3)c2-c2ccncc2)cc1
InChIInChI=1S/C21H22ClN5/c22-17-3-1-16(2-4-17)20-19(15-7-9-23-10-8-15)21(25-24-20)27-13-11-26(12-14-27)18-5-6-18/h1-4,7-10,18H,5-6,11-14H2,(H,24,25)
InChIKeySWLDMOPJPQIOHL-UHFFFAOYSA-N
XLogP4.08
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-(4-chlorophenyl)-4-(4-pyridinyl)-1H-pyrazol-3-yl)-4-methylpiperazine
CID 15541506
4-(5-chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(4-(dimethylamino)piperidin-1-yl)pyridin-2-yl)pyrimidin-2-amine
CID 49765254
1-[5-(4-chlorophenyl)-4-(4-pyridinyl)-1H-pyrazol-3-yl]-3,5-dimethylpiperazine
CID 9842184
1-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-3-ol
CID 21036711
1-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl]-3-methylpiperazine
CID 22037576
2-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl]-1,2,3,4-tetrahydroisoquinoline
CID 22953665
5-bromo-2-N-[(4-chlorophenyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 24949091
Arylpyrazole, 20
CID 44143420
Cyclohexyl-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)[2,4'']bipyridinyl-2''-yl]amine
CID 46902013
3-(4-chlorophenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 3266722
4-[3-(4-chlorophenyl)-5-(3,5-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine
CID 23648269
4-[3-(4-chlorophenyl)-5-(4-methylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine
CID 23648270

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-cyclopropylpiperazine?
The IUPAC name of 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-cyclopropylpiperazine (CID 22037242) is 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-cyclopropylpiperazine.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-cyclopropylpiperazine?
The canonical SMILES for 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-cyclopropylpiperazine is Clc1ccc(-c2[nH]nc(N3CCN(C4CC4)CC3)c2-c2ccncc2)cc1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-cyclopropylpiperazine?
The InChIKey is SWLDMOPJPQIOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5/c22-17-3-1-16(2-4-17)20-19(15-7-9-23-10-8-15)21(25-24-20)27-13-11-26(12-14-27)18-5-6-18/h1-4,7-10,18H,5-6,11-14H2,(H,24,25).
What are the key properties of 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-cyclopropylpiperazine?
1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-cyclopropylpiperazine has a molecular weight of 379.89 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-cyclopropylpiperazine is sourced from PubChem (CID 22037242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).