(3-chlorophenyl)-[3-(1H-indazol-7-yl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone

C21H18ClN5O — CID 134809226

IUPAC(3-chlorophenyl)-[3-(1H-indazol-7-yl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
SMILESCc1nn2c(c1-c1cccc3cn[nH]c13)N(C(=O)c1cccc(Cl)c1)CCC2
InChIInChI=1S/C21H18ClN5O/c1-13-18(17-8-3-6-15-12-23-24-19(15)17)20-26(9-4-10-27(20)25-13)21(28)14-5-2-7-16(22)11-14/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,23,24)
InChIKeyIVXUCXJZGAYBGZ-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.44
Rot. Bonds2

About (3-chlorophenyl)-[3-(1H-indazol-7-yl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone

(3-chlorophenyl)-[3-(1H-indazol-7-yl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone (PubChem CID 134809226) has the molecular formula C21H18ClN5O and a molecular weight of 391.86 g/mol. Its IUPAC name is (3-chlorophenyl)-[3-(1H-indazol-7-yl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[3-(1H-indazol-7-yl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
PubChem CID134809226
Molecular FormulaC21H18ClN5O
Molecular Weight391.86 g/mol
Exact Mass391.12
IUPAC Name(3-chlorophenyl)-[3-(1H-indazol-7-yl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
SMILESCc1nn2c(c1-c1cccc3cn[nH]c13)N(C(=O)c1cccc(Cl)c1)CCC2
InChIInChI=1S/C21H18ClN5O/c1-13-18(17-8-3-6-15-12-23-24-19(15)17)20-26(9-4-10-27(20)25-13)21(28)14-5-2-7-16(22)11-14/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,23,24)
InChIKeyIVXUCXJZGAYBGZ-UHFFFAOYSA-N
XLogP4.44
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[3-(1H-indazol-7-yl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[3-(1H-indazol-7-yl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone (CID 134809226) is (3-chlorophenyl)-[3-(1H-indazol-7-yl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[3-(1H-indazol-7-yl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[3-(1H-indazol-7-yl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone is Cc1nn2c(c1-c1cccc3cn[nH]c13)N(C(=O)c1cccc(Cl)c1)CCC2.
What is the InChIKey of (3-chlorophenyl)-[3-(1H-indazol-7-yl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The InChIKey is IVXUCXJZGAYBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O/c1-13-18(17-8-3-6-15-12-23-24-19(15)17)20-26(9-4-10-27(20)25-13)21(28)14-5-2-7-16(22)11-14/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,23,24).
What are the key properties of (3-chlorophenyl)-[3-(1H-indazol-7-yl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
(3-chlorophenyl)-[3-(1H-indazol-7-yl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone has a molecular weight of 391.86 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[3-(1H-indazol-7-yl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone is sourced from PubChem (CID 134809226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).