3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;N-(2-chloro-4-fluorophenyl)cyclohexanecarboxamide

C22H23ClFN5O4 — CID 145182203

IUPAC3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;N-(2-chloro-4-fluorophenyl)cyclohexanecarboxamide
SMILESCc1cc(C(=O)O)n2ncc(C(N)=O)c2n1.O=C(Nc1ccc(F)cc1Cl)C1CCCCC1
InChIInChI=1S/C13H15ClFNO.C9H8N4O3/c14-11-8-10(15)6-7-12(11)16-13(17)9-4-2-1-3-5-9;1-4-2-6(9(15)16)13-8(12-4)5(3-11-13)7(10)14/h6-9H,1-5H2,(H,16,17);2-3H,1H3,(H2,10,14)(H,15,16)
InChIKeyDNPUAEHHULPBQQ-UHFFFAOYSA-N
MW475.91 g/mol
LogP3.83
Rot. Bonds4

About 3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;N-(2-chloro-4-fluorophenyl)cyclohexanecarboxamide

3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;N-(2-chloro-4-fluorophenyl)cyclohexanecarboxamide (PubChem CID 145182203) has the molecular formula C22H23ClFN5O4 and a molecular weight of 475.91 g/mol. Its IUPAC name is 3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;N-(2-chloro-4-fluorophenyl)cyclohexanecarboxamide.

Molecular Properties

Compound Name3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;N-(2-chloro-4-fluorophenyl)cyclohexanecarboxamide
PubChem CID145182203
Molecular FormulaC22H23ClFN5O4
Molecular Weight475.91 g/mol
Exact Mass475.14
IUPAC Name3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;N-(2-chloro-4-fluorophenyl)cyclohexanecarboxamide
SMILESCc1cc(C(=O)O)n2ncc(C(N)=O)c2n1.O=C(Nc1ccc(F)cc1Cl)C1CCCCC1
InChIInChI=1S/C13H15ClFNO.C9H8N4O3/c14-11-8-10(15)6-7-12(11)16-13(17)9-4-2-1-3-5-9;1-4-2-6(9(15)16)13-8(12-4)5(3-11-13)7(10)14/h6-9H,1-5H2,(H,16,17);2-3H,1H3,(H2,10,14)(H,15,16)
InChIKeyDNPUAEHHULPBQQ-UHFFFAOYSA-N
XLogP3.83
TPSA139.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.91
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

cyclohexanecarboxylic acid;5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145182096
5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylic acid
CID 90791486
4-amino-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 122672313
2-(cycloheptanecarbonylamino)-4-fluorobenzoic acid
CID 62585770
N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122672769
N-(2-acetamido-5-fluorophenyl)cyclohexanecarboxamide
CID 113092924
(3R)-N-(2-chloro-4-fluorophenyl)piperidine-3-carboxamide
CID 29080451
N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide
CID 17069288
N-(2-chloro-4-methoxyphenyl)cyclopentanecarboxamide
CID 110777920
(2-chloro-4-fluorophenyl)thiourea
CID 28888219
N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopentanecarboxamide
CID 82685115
N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cycloheptanecarboxamide
CID 107809919

Frequently Asked Questions

What is the IUPAC name of 3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;N-(2-chloro-4-fluorophenyl)cyclohexanecarboxamide?
The IUPAC name of 3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;N-(2-chloro-4-fluorophenyl)cyclohexanecarboxamide (CID 145182203) is 3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;N-(2-chloro-4-fluorophenyl)cyclohexanecarboxamide.
What is the SMILES notation for 3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;N-(2-chloro-4-fluorophenyl)cyclohexanecarboxamide?
The canonical SMILES for 3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;N-(2-chloro-4-fluorophenyl)cyclohexanecarboxamide is Cc1cc(C(=O)O)n2ncc(C(N)=O)c2n1.O=C(Nc1ccc(F)cc1Cl)C1CCCCC1.
What is the InChIKey of 3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;N-(2-chloro-4-fluorophenyl)cyclohexanecarboxamide?
The InChIKey is DNPUAEHHULPBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO.C9H8N4O3/c14-11-8-10(15)6-7-12(11)16-13(17)9-4-2-1-3-5-9;1-4-2-6(9(15)16)13-8(12-4)5(3-11-13)7(10)14/h6-9H,1-5H2,(H,16,17);2-3H,1H3,(H2,10,14)(H,15,16).
What are the key properties of 3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;N-(2-chloro-4-fluorophenyl)cyclohexanecarboxamide?
3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;N-(2-chloro-4-fluorophenyl)cyclohexanecarboxamide has a molecular weight of 475.91 g/mol, XLogP of 3.83, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;N-(2-chloro-4-fluorophenyl)cyclohexanecarboxamide is sourced from PubChem (CID 145182203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).