[4-(3-chlorophenyl)piperazin-1-yl]-(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)methanone

C20H20ClN5O — CID 53040945

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
SMILESO=C(c1cc(C2CC2)n2nccc2n1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H20ClN5O/c21-15-2-1-3-16(12-15)24-8-10-25(11-9-24)20(27)17-13-18(14-4-5-14)26-19(23-17)6-7-22-26/h1-3,6-7,12-14H,4-5,8-11H2
InChIKeyJYCMMJSRAPQUKU-UHFFFAOYSA-N
MW381.87 g/mol
LogP3.22
Rot. Bonds3

About [4-(3-chlorophenyl)piperazin-1-yl]-(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)methanone

[4-(3-chlorophenyl)piperazin-1-yl]-(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)methanone (PubChem CID 53040945) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
PubChem CID53040945
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
SMILESO=C(c1cc(C2CC2)n2nccc2n1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H20ClN5O/c21-15-2-1-3-16(12-15)24-8-10-25(11-9-24)20(27)17-13-18(14-4-5-14)26-19(23-17)6-7-22-26/h1-3,6-7,12-14H,4-5,8-11H2
InChIKeyJYCMMJSRAPQUKU-UHFFFAOYSA-N
XLogP3.22
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methanone
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(2-chlorofuran-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 106685249
[4-(3-chlorophenyl)piperazin-1-yl]-[2-(cyclopentylamino)-6-methylpyrimidin-4-yl]methanone
CID 109321969
[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 51176610
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
[6-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363660
[4-(3-chlorophenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63038242
[4-(3-chlorophenyl)piperazin-1-yl]-(5-phenyl-1,3-oxazol-4-yl)methanone
CID 11360631
[2-tert-butyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 46170321
[4-(3-chlorophenyl)piperazin-1-yl]-(6-methylpyrimidin-4-yl)methanone
CID 110854458
[4-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
CID 110691904
[4-(3-chlorophenyl)piperazin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)methanone (CID 53040945) is [4-(3-chlorophenyl)piperazin-1-yl]-(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)methanone is O=C(c1cc(C2CC2)n2nccc2n1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
The InChIKey is JYCMMJSRAPQUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c21-15-2-1-3-16(12-15)24-8-10-25(11-9-24)20(27)17-13-18(14-4-5-14)26-19(23-17)6-7-22-26/h1-3,6-7,12-14H,4-5,8-11H2.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)methanone has a molecular weight of 381.87 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)methanone is sourced from PubChem (CID 53040945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).