(4-chloro-1,5-dimethylpyrazol-3-yl)-(4-pyridin-3-ylpiperazin-1-yl)methanone

C15H18ClN5O — CID 72938609

IUPAC(4-chloro-1,5-dimethylpyrazol-3-yl)-(4-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCc1c(Cl)c(C(=O)N2CCN(c3cccnc3)CC2)nn1C
InChIInChI=1S/C15H18ClN5O/c1-11-13(16)14(18-19(11)2)15(22)21-8-6-20(7-9-21)12-4-3-5-17-10-12/h3-5,10H,6-9H2,1-2H3
InChIKeySMQXPMMGUMTUNQ-UHFFFAOYSA-N
MW319.80 g/mol
LogP1.74
Rot. Bonds2

About (4-chloro-1,5-dimethylpyrazol-3-yl)-(4-pyridin-3-ylpiperazin-1-yl)methanone

(4-chloro-1,5-dimethylpyrazol-3-yl)-(4-pyridin-3-ylpiperazin-1-yl)methanone (PubChem CID 72938609) has the molecular formula C15H18ClN5O and a molecular weight of 319.80 g/mol. Its IUPAC name is (4-chloro-1,5-dimethylpyrazol-3-yl)-(4-pyridin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1,5-dimethylpyrazol-3-yl)-(4-pyridin-3-ylpiperazin-1-yl)methanone
PubChem CID72938609
Molecular FormulaC15H18ClN5O
Molecular Weight319.80 g/mol
Exact Mass319.12
IUPAC Name(4-chloro-1,5-dimethylpyrazol-3-yl)-(4-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCc1c(Cl)c(C(=O)N2CCN(c3cccnc3)CC2)nn1C
InChIInChI=1S/C15H18ClN5O/c1-11-13(16)14(18-19(11)2)15(22)21-8-6-20(7-9-21)12-4-3-5-17-10-12/h3-5,10H,6-9H2,1-2H3
InChIKeySMQXPMMGUMTUNQ-UHFFFAOYSA-N
XLogP1.74
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-1,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone
CID 82511609
2-chloro-1-(4-pyridin-3-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 167917546
2-methyl-4-[4-(5-methyl-3-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one
CID 171630479
1H-pyrazol-4-yl-(4-pyridin-3-ylpiperazin-1-yl)methanone
CID 77082727
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113076863
tert-butyl 4-pyridin-3-ylpiperazine-1-carboxylate
CID 11673373
ethane;1-methyl-4-pyridin-3-ylpiperazine
CID 144911309
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 2683196
2-methyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)phthalazin-1-one
CID 9254342
(4-chloro-1,5-dimethylpyrazol-3-yl)-[4-hydroxy-4-(hydroxymethyl)azepan-1-yl]methanone
CID 56884820
(1,5-dimethylpyrazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 51309247
4-[4-(4-chloro-1,5-dimethylpyrazole-3-carbonyl)-1,4-diazepan-1-yl]-1H-pyrimidin-6-one;formic acid
CID 154923994

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1,5-dimethylpyrazol-3-yl)-(4-pyridin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-chloro-1,5-dimethylpyrazol-3-yl)-(4-pyridin-3-ylpiperazin-1-yl)methanone (CID 72938609) is (4-chloro-1,5-dimethylpyrazol-3-yl)-(4-pyridin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-chloro-1,5-dimethylpyrazol-3-yl)-(4-pyridin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-chloro-1,5-dimethylpyrazol-3-yl)-(4-pyridin-3-ylpiperazin-1-yl)methanone is Cc1c(Cl)c(C(=O)N2CCN(c3cccnc3)CC2)nn1C.
What is the InChIKey of (4-chloro-1,5-dimethylpyrazol-3-yl)-(4-pyridin-3-ylpiperazin-1-yl)methanone?
The InChIKey is SMQXPMMGUMTUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O/c1-11-13(16)14(18-19(11)2)15(22)21-8-6-20(7-9-21)12-4-3-5-17-10-12/h3-5,10H,6-9H2,1-2H3.
What are the key properties of (4-chloro-1,5-dimethylpyrazol-3-yl)-(4-pyridin-3-ylpiperazin-1-yl)methanone?
(4-chloro-1,5-dimethylpyrazol-3-yl)-(4-pyridin-3-ylpiperazin-1-yl)methanone has a molecular weight of 319.80 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1,5-dimethylpyrazol-3-yl)-(4-pyridin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 72938609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).