[7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone

C23H23BrClN7O — CID 19441787

IUPAC[7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESCCn1cc(Br)c(-c2ccnc3cc(C(=O)N4CCN(Cc5ccccc5Cl)CC4)nn23)n1
InChIInChI=1S/C23H23BrClN7O/c1-2-31-15-17(24)22(28-31)20-7-8-26-21-13-19(27-32(20)21)23(33)30-11-9-29(10-12-30)14-16-5-3-4-6-18(16)25/h3-8,13,15H,2,9-12,14H2,1H3
InChIKeyXBEHNZJFBRWWQP-UHFFFAOYSA-N
MW528.84 g/mol
LogP3.99
Rot. Bonds5

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

[7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 19441787) has the molecular formula C23H23BrClN7O and a molecular weight of 528.84 g/mol. Its IUPAC name is [7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID19441787
Molecular FormulaC23H23BrClN7O
Molecular Weight528.84 g/mol
Exact Mass527.08
IUPAC Name[7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESCCn1cc(Br)c(-c2ccnc3cc(C(=O)N4CCN(Cc5ccccc5Cl)CC4)nn23)n1
InChIInChI=1S/C23H23BrClN7O/c1-2-31-15-17(24)22(28-31)20-7-8-26-21-13-19(27-32(20)21)23(33)30-11-9-29(10-12-30)14-16-5-3-4-6-18(16)25/h3-8,13,15H,2,9-12,14H2,1H3
InChIKeyXBEHNZJFBRWWQP-UHFFFAOYSA-N
XLogP3.99
TPSA71.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.84
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[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
[7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19441793
[7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19441802
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468501
7-(4-bromo-1-ethylpyrazol-3-yl)-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468432
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(1-ethyl-3-methylpyrazol-4-yl)methanone
CID 19478097
7-(4-bromo-1-ethylpyrazol-3-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468548
7-(4-bromo-1-ethylpyrazol-3-yl)-N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468518
7-(4-bromo-1-ethylpyrazol-3-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468554
7-(4-bromo-1-ethylpyrazol-3-yl)-N-(2,3,4,5,6-pentafluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468440
7-(4-bromo-1-ethylpyrazol-3-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468444
7-(4-bromo-1-ethylpyrazol-3-yl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468380

Frequently Asked Questions

What is the IUPAC name of [7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone (CID 19441787) is [7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone is CCn1cc(Br)c(-c2ccnc3cc(C(=O)N4CCN(Cc5ccccc5Cl)CC4)nn23)n1.
What is the InChIKey of [7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is XBEHNZJFBRWWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrClN7O/c1-2-31-15-17(24)22(28-31)20-7-8-26-21-13-19(27-32(20)21)23(33)30-11-9-29(10-12-30)14-16-5-3-4-6-18(16)25/h3-8,13,15H,2,9-12,14H2,1H3.
What are the key properties of [7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone?
[7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 528.84 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19441787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).