6-[(4-chlorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H19ClN4O2 — CID 22427258

IUPAC6-[(4-chlorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(C(=O)N3CCCC3)c[nH]n2c(=O)c1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN4O2/c1-12-15(10-13-4-6-14(20)7-5-13)19(26)24-17(22-12)16(11-21-24)18(25)23-8-2-3-9-23/h4-7,11,21H,2-3,8-10H2,1H3
InChIKeyDTCCSXVRVQJAKA-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.81
Rot. Bonds3

About 6-[(4-chlorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-[(4-chlorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 22427258) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID22427258
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name6-[(4-chlorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(C(=O)N3CCCC3)c[nH]n2c(=O)c1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN4O2/c1-12-15(10-13-4-6-14(20)7-5-13)19(26)24-17(22-12)16(11-21-24)18(25)23-8-2-3-9-23/h4-7,11,21H,2-3,8-10H2,1H3
InChIKeyDTCCSXVRVQJAKA-UHFFFAOYSA-N
XLogP2.81
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Cambridge id 5677894
CID 867913
3-(4-chlorophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 1079880
3-(4-chlorophenyl)-2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9(4H)-one
CID 867917
3-(4-Chloro-phenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-9-one
CID 650677
3-(4-chlorophenyl)-2,5-dimethyl-6-propylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 1863824
6-[(2-fluorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4062440
N-benzyl-6-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4526204
N-benzyl-6-[(4-chlorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 15988878
6-[(2-Chloro-4-fluorophenyl)methyl]-7-hydroxy-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 15988881
6-chloro-N-[2-(2-chlorophenyl)ethyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 5130856
6-benzyl-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 7326949
3-(4-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-8H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-one
CID 653420

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[(4-chlorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 22427258) is 6-[(4-chlorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[(4-chlorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[(4-chlorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(C(=O)N3CCCC3)c[nH]n2c(=O)c1Cc1ccc(Cl)cc1.
What is the InChIKey of 6-[(4-chlorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DTCCSXVRVQJAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-12-15(10-13-4-6-14(20)7-5-13)19(26)24-17(22-12)16(11-21-24)18(25)23-8-2-3-9-23/h4-7,11,21H,2-3,8-10H2,1H3.
What are the key properties of 6-[(4-chlorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-[(4-chlorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 370.84 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 22427258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).