N-[1-(4-chlorophenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-5-yl]propanamide

C22H23ClN6O2 — CID 991547

IUPACN-[1-(4-chlorophenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-5-yl]propanamide
SMILESCCC(=O)Nc1c(C(=O)N2CCN(c3ccccn3)CC2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN6O2/c1-2-20(30)26-21-18(15-25-29(21)17-8-6-16(23)7-9-17)22(31)28-13-11-27(12-14-28)19-5-3-4-10-24-19/h3-10,15H,2,11-14H2,1H3,(H,26,30)
InChIKeyMZQKMHPUONVZJI-UHFFFAOYSA-N
MW438.92 g/mol
LogP3.23
Rot. Bonds5

About N-[1-(4-chlorophenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-5-yl]propanamide

N-[1-(4-chlorophenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-5-yl]propanamide (PubChem CID 991547) has the molecular formula C22H23ClN6O2 and a molecular weight of 438.92 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-5-yl]propanamide
PubChem CID991547
Molecular FormulaC22H23ClN6O2
Molecular Weight438.92 g/mol
Exact Mass438.16
IUPAC NameN-[1-(4-chlorophenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-5-yl]propanamide
SMILESCCC(=O)Nc1c(C(=O)N2CCN(c3ccccn3)CC2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN6O2/c1-2-20(30)26-21-18(15-25-29(21)17-8-6-16(23)7-9-17)22(31)28-13-11-27(12-14-28)19-5-3-4-10-24-19/h3-10,15H,2,11-14H2,1H3,(H,26,30)
InChIKeyMZQKMHPUONVZJI-UHFFFAOYSA-N
XLogP3.23
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-Chlorophenyl)-3-Methyl-1h-Pyrazol-5-Yl]pyrazolo[1,5-A]pyrimidine-3-Carboxamide
CID 70496411
8-[4-[2-[4-(3-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one
CID 137175094
8-[4-[2-[4-(4-Chlorophenyl)piperidin-1-Yl]ethyl]pyrazol-1-Yl]-3~{h}-Pyrido[3,4-D]pyrimidin-4-One
CID 135567110
8-[4-[2-[4-[(4-Chlorophenyl)methyl]piperidin-1-Yl]ethyl]pyrazol-1-Yl]-3~{h}-Pyrido[3,4-D]pyrimidin-4-One
CID 135567112
8-[4-[2-[4-(3-chlorophenyl)-4-methylpiperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 138393341
3-[(4-Phenyl-1-piperazinyl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 1939424
(3-Chlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10621510
7-(3-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)phenyl)-N-(2-(diethylamino)ethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 45268883
N-(3-(3-chlorophenyl)pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 49857227
5-amino-N-(1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063334
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-5-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063487
N-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 58081243

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-5-yl]propanamide?
The IUPAC name of N-[1-(4-chlorophenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-5-yl]propanamide (CID 991547) is N-[1-(4-chlorophenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-5-yl]propanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-5-yl]propanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-5-yl]propanamide is CCC(=O)Nc1c(C(=O)N2CCN(c3ccccn3)CC2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-5-yl]propanamide?
The InChIKey is MZQKMHPUONVZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O2/c1-2-20(30)26-21-18(15-25-29(21)17-8-6-16(23)7-9-17)22(31)28-13-11-27(12-14-28)19-5-3-4-10-24-19/h3-10,15H,2,11-14H2,1H3,(H,26,30).
What are the key properties of N-[1-(4-chlorophenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-5-yl]propanamide?
N-[1-(4-chlorophenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-5-yl]propanamide has a molecular weight of 438.92 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-5-yl]propanamide is sourced from PubChem (CID 991547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).