N-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-piperazin-1-ylbenzamide

C23H21ClN6O — CID 58628505

IUPACN-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-piperazin-1-ylbenzamide
SMILESO=C(Nc1cnc2c(-c3ccc(Cl)cc3)cnn2c1)c1ccccc1N1CCNCC1
InChIInChI=1S/C23H21ClN6O/c24-17-7-5-16(6-8-17)20-14-27-30-15-18(13-26-22(20)30)28-23(31)19-3-1-2-4-21(19)29-11-9-25-10-12-29/h1-8,13-15,25H,9-12H2,(H,28,31)
InChIKeyAVHHLDCTHRCQNX-UHFFFAOYSA-N
MW432.92 g/mol
LogP3.71
Rot. Bonds4

About N-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-piperazin-1-ylbenzamide

N-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-piperazin-1-ylbenzamide (PubChem CID 58628505) has the molecular formula C23H21ClN6O and a molecular weight of 432.92 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-piperazin-1-ylbenzamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-piperazin-1-ylbenzamide
PubChem CID58628505
Molecular FormulaC23H21ClN6O
Molecular Weight432.92 g/mol
Exact Mass432.15
IUPAC NameN-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-piperazin-1-ylbenzamide
SMILESO=C(Nc1cnc2c(-c3ccc(Cl)cc3)cnn2c1)c1ccccc1N1CCNCC1
InChIInChI=1S/C23H21ClN6O/c24-17-7-5-16(6-8-17)20-14-27-30-15-18(13-26-22(20)30)28-23(31)19-3-1-2-4-21(19)29-11-9-25-10-12-29/h1-8,13-15,25H,9-12H2,(H,28,31)
InChIKeyAVHHLDCTHRCQNX-UHFFFAOYSA-N
XLogP3.71
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.92
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-[4-(propan-2-ylamino)piperidin-1-yl]phenyl]urea
CID 58628657
3-(4-chlorophenyl)-N-[2-[4-(methylamino)piperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 58628283
N-[2-[(3R)-3-aminopyrrolidin-1-yl]phenyl]-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 58628608
N-(2-piperazin-1-ylphenyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628849
3-[4-[2-(4-fluorophenyl)ethyl]phenyl]-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628524
3-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628583
3-(4-chlorophenyl)-N-[2-[(3R)-3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 58628338
1-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-[4-(ethylamino)piperidin-1-yl]phenyl]urea
CID 58628835
N-(6-piperazin-1-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70001265
N-methyl-2-piperazin-1-ylbenzamide;dihydrochloride
CID 140869989
2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494622
3-(3,5-dichlorophenyl)-N-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628739

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-piperazin-1-ylbenzamide?
The IUPAC name of N-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-piperazin-1-ylbenzamide (CID 58628505) is N-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-piperazin-1-ylbenzamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-piperazin-1-ylbenzamide?
The canonical SMILES for N-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-piperazin-1-ylbenzamide is O=C(Nc1cnc2c(-c3ccc(Cl)cc3)cnn2c1)c1ccccc1N1CCNCC1.
What is the InChIKey of N-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-piperazin-1-ylbenzamide?
The InChIKey is AVHHLDCTHRCQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O/c24-17-7-5-16(6-8-17)20-14-27-30-15-18(13-26-22(20)30)28-23(31)19-3-1-2-4-21(19)29-11-9-25-10-12-29/h1-8,13-15,25H,9-12H2,(H,28,31).
What are the key properties of N-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-piperazin-1-ylbenzamide?
N-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-piperazin-1-ylbenzamide has a molecular weight of 432.92 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-piperazin-1-ylbenzamide is sourced from PubChem (CID 58628505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).