2-(4-chlorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C23H29ClN5O+ — CID 7360415

IUPAC2-(4-chlorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCc1c(C(=O)NCC[NH+]2CCCCC2)cnc2cc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C23H28ClN5O/c1-2-6-21-19(23(30)25-11-14-28-12-4-3-5-13-28)16-26-22-15-20(27-29(21)22)17-7-9-18(24)10-8-17/h7-10,15-16H,2-6,11-14H2,1H3,(H,25,30)/p+1
InChIKeyKIOJJMQMASASAC-UHFFFAOYSA-O
MW426.97 g/mol
LogP2.80
Rot. Bonds7

About 2-(4-chlorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide

2-(4-chlorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 7360415) has the molecular formula C23H29ClN5O+ and a molecular weight of 426.97 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID7360415
Molecular FormulaC23H29ClN5O+
Molecular Weight426.97 g/mol
Exact Mass426.21
IUPAC Name2-(4-chlorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCc1c(C(=O)NCC[NH+]2CCCCC2)cnc2cc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C23H28ClN5O/c1-2-6-21-19(23(30)25-11-14-28-12-4-3-5-13-28)16-26-22-15-20(27-29(21)22)17-7-9-18(24)10-8-17/h7-10,15-16H,2-6,11-14H2,1H3,(H,25,30)/p+1
InChIKeyKIOJJMQMASASAC-UHFFFAOYSA-O
XLogP2.80
TPSA63.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.97
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 42659791
N-(3-methoxypropyl)-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4317033
2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3651301
7-methyl-2-phenyl-N-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 5149768
[2-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone
CID 42752729
[2-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-6-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 42752730
N-butan-2-yl-7-ethyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 42752722
2-tert-butyl-N-(3-morpholin-4-ylpropyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3439504
N-cyclohexyl-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811833
(4-benzhydrylpiperazin-1-yl)-[2-(4-chlorophenyl)-7-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 5010610
3-(4-fluorophenyl)-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-5-carboxamide
CID 7499258
N-[2-(azepan-1-ium-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 3432245

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 7360415) is 2-(4-chlorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CCCc1c(C(=O)NCC[NH+]2CCCCC2)cnc2cc(-c3ccc(Cl)cc3)nn12.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is KIOJJMQMASASAC-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H28ClN5O/c1-2-6-21-19(23(30)25-11-14-28-12-4-3-5-13-28)16-26-22-15-20(27-29(21)22)17-7-9-18(24)10-8-17/h7-10,15-16H,2-6,11-14H2,1H3,(H,25,30)/p+1.
What are the key properties of 2-(4-chlorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
2-(4-chlorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 426.97 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 7360415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).