[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone

C23H23Cl2N7O — CID 19441764

IUPAC[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
SMILESCc1c(-c2ccnc3cc(C(=O)N4CCN(Cc5ccc(Cl)c(Cl)c5)CC4)nn23)cnn1C
InChIInChI=1S/C23H23Cl2N7O/c1-15-17(13-27-29(15)2)21-5-6-26-22-12-20(28-32(21)22)23(33)31-9-7-30(8-10-31)14-16-3-4-18(24)19(25)11-16/h3-6,11-13H,7-10,14H2,1-2H3
InChIKeyYOGBAHVBCAFRNG-UHFFFAOYSA-N
MW484.39 g/mol
LogP3.70
Rot. Bonds4

About [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone

[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone (PubChem CID 19441764) has the molecular formula C23H23Cl2N7O and a molecular weight of 484.39 g/mol. Its IUPAC name is [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone.

Molecular Properties

Compound Name[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
PubChem CID19441764
Molecular FormulaC23H23Cl2N7O
Molecular Weight484.39 g/mol
Exact Mass483.13
IUPAC Name[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
SMILESCc1c(-c2ccnc3cc(C(=O)N4CCN(Cc5ccc(Cl)c(Cl)c5)CC4)nn23)cnn1C
InChIInChI=1S/C23H23Cl2N7O/c1-15-17(13-27-29(15)2)21-5-6-26-22-12-20(28-32(21)22)23(33)31-9-7-30(8-10-31)14-16-3-4-18(24)19(25)11-16/h3-6,11-13H,7-10,14H2,1-2H3
InChIKeyYOGBAHVBCAFRNG-UHFFFAOYSA-N
XLogP3.70
TPSA71.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19441761
[7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19441788
[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 19478074
[7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19441793
[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]methanone
CID 19615316
[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[2-(1,5-dimethylpyrazol-4-yl)quinolin-4-yl]methanone
CID 19518924
7-(1,5-dimethylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468313
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466638
[7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19441787
N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466657
7-(1,5-dimethylpyrazol-4-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466631
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 19473137

Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
The IUPAC name of [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone (CID 19441764) is [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone.
What is the SMILES notation for [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
The canonical SMILES for [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone is Cc1c(-c2ccnc3cc(C(=O)N4CCN(Cc5ccc(Cl)c(Cl)c5)CC4)nn23)cnn1C.
What is the InChIKey of [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
The InChIKey is YOGBAHVBCAFRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N7O/c1-15-17(13-27-29(15)2)21-5-6-26-22-12-20(28-32(21)22)23(33)31-9-7-30(8-10-31)14-16-3-4-18(24)19(25)11-16/h3-6,11-13H,7-10,14H2,1-2H3.
What are the key properties of [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone has a molecular weight of 484.39 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone is sourced from PubChem (CID 19441764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).