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

C21H22BrN7O2 — CID 19441802

IUPAC[7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
SMILESCCn1cc(Br)c(-c2ccnc3cc(C(=O)N4CCN(Cc5ccco5)CC4)nn23)n1
InChIInChI=1S/C21H22BrN7O2/c1-2-28-14-16(22)20(25-28)18-5-6-23-19-12-17(24-29(18)19)21(30)27-9-7-26(8-10-27)13-15-4-3-11-31-15/h3-6,11-12,14H,2,7-10,13H2,1H3
InChIKeyHXKHIFYDRFMOOU-UHFFFAOYSA-N
MW484.36 g/mol
LogP2.93
Rot. Bonds5

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

[7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 19441802) has the molecular formula C21H22BrN7O2 and a molecular weight of 484.36 g/mol. Its IUPAC name is [7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID19441802
Molecular FormulaC21H22BrN7O2
Molecular Weight484.36 g/mol
Exact Mass483.10
IUPAC Name[7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
SMILESCCn1cc(Br)c(-c2ccnc3cc(C(=O)N4CCN(Cc5ccco5)CC4)nn23)n1
InChIInChI=1S/C21H22BrN7O2/c1-2-28-14-16(22)20(25-28)18-5-6-23-19-12-17(24-29(18)19)21(30)27-9-7-26(8-10-27)13-15-4-3-11-31-15/h3-6,11-12,14H,2,7-10,13H2,1H3
InChIKeyHXKHIFYDRFMOOU-UHFFFAOYSA-N
XLogP2.93
TPSA84.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[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-[(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-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19441787
(1-ethylpyrazol-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19279222
7-(4-bromo-1-ethylpyrazol-3-yl)-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468432
7-(4-bromo-1-ethylpyrazol-3-yl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468380
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-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468573
7-(4-bromo-1-ethylpyrazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19441230
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
[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19572461

Frequently Asked Questions

What is the IUPAC name of [7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone (CID 19441802) is [7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(furan-2-ylmethyl)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-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone is CCn1cc(Br)c(-c2ccnc3cc(C(=O)N4CCN(Cc5ccco5)CC4)nn23)n1.
What is the InChIKey of [7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is HXKHIFYDRFMOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN7O2/c1-2-28-14-16(22)20(25-28)18-5-6-23-19-12-17(24-29(18)19)21(30)27-9-7-26(8-10-27)13-15-4-3-11-31-15/h3-6,11-12,14H,2,7-10,13H2,1H3.
What are the key properties of [7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
[7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 484.36 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 8 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-(furan-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 19441802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).