(2-methylpiperazin-1-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone

C15H22N6O — CID 119473561

IUPAC(2-methylpiperazin-1-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)N2CCNCC2C)[nH]n1
InChIInChI=1S/C15H22N6O/c1-9-8-16-5-6-21(9)15(22)13-7-12(17-18-13)14-10(2)19-20(4)11(14)3/h7,9,16H,5-6,8H2,1-4H3,(H,17,18)
InChIKeyRTVINOYBOVZDNF-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.86
Rot. Bonds2

About (2-methylpiperazin-1-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone

(2-methylpiperazin-1-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone (PubChem CID 119473561) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is (2-methylpiperazin-1-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name(2-methylpiperazin-1-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
PubChem CID119473561
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name(2-methylpiperazin-1-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)N2CCNCC2C)[nH]n1
InChIInChI=1S/C15H22N6O/c1-9-8-16-5-6-21(9)15(22)13-7-12(17-18-13)14-10(2)19-20(4)11(14)3/h7,9,16H,5-6,8H2,1-4H3,(H,17,18)
InChIKeyRTVINOYBOVZDNF-UHFFFAOYSA-N
XLogP0.86
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methylpiperazin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 119472810
N-(2-pyrrolidin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119538066
[4-(1-aminoethyl)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride
CID 119520864
(3-aminopiperidin-1-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride
CID 119381724
N-(3-piperazin-1-ylpropyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 119394475
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 78879259
[3-(methylamino)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride
CID 119493717
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(2-methylpiperazin-1-yl)methanone
CID 119471958
6-(2-methylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 55104387
(1,3-dimethylpyrazol-4-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 103866771
N-(1-adamantyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879952
N-(pyrrolidin-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 119514663

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperazin-1-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of (2-methylpiperazin-1-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone (CID 119473561) is (2-methylpiperazin-1-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for (2-methylpiperazin-1-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for (2-methylpiperazin-1-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone is Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCNCC2C)[nH]n1.
What is the InChIKey of (2-methylpiperazin-1-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone?
The InChIKey is RTVINOYBOVZDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-9-8-16-5-6-21(9)15(22)13-7-12(17-18-13)14-10(2)19-20(4)11(14)3/h7,9,16H,5-6,8H2,1-4H3,(H,17,18).
What are the key properties of (2-methylpiperazin-1-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone?
(2-methylpiperazin-1-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone has a molecular weight of 302.38 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperazin-1-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 119473561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).