[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride

C16H23Cl2N5O — CID 119472572

IUPAC[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCNCC3C)cn2)n1.Cl.Cl
InChIInChI=1S/C16H21N5O.2ClH/c1-11-8-12(2)21(19-11)15-5-4-14(10-18-15)16(22)20-7-6-17-9-13(20)3;;/h4-5,8,10,13,17H,6-7,9H2,1-3H3;2*1H
InChIKeyKAVQJTFGEHVTRI-UHFFFAOYSA-N
MW372.30 g/mol
LogP2.16
Rot. Bonds2

About [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride

[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride (PubChem CID 119472572) has the molecular formula C16H23Cl2N5O and a molecular weight of 372.30 g/mol. Its IUPAC name is [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride
PubChem CID119472572
Molecular FormulaC16H23Cl2N5O
Molecular Weight372.30 g/mol
Exact Mass371.13
IUPAC Name[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCNCC3C)cn2)n1.Cl.Cl
InChIInChI=1S/C16H21N5O.2ClH/c1-11-8-12(2)21(19-11)15-5-4-14(10-18-15)16(22)20-7-6-17-9-13(20)3;;/h4-5,8,10,13,17H,6-7,9H2,1-3H3;2*1H
InChIKeyKAVQJTFGEHVTRI-UHFFFAOYSA-N
XLogP2.16
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone
CID 119472573
[2-(3-chlorophenyl)piperazin-1-yl]-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanone
CID 120803399
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[(7S)-7-methyl-1,4-thiazepan-4-yl]methanone
CID 99833538
[(2R)-2-methylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 82705641
(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 102555329
[6-[ethyl(propyl)amino]-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone
CID 119471683
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023380
(4-fluoro-3-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82756256
6-(3,5-dimethylpyrazol-1-yl)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119513330

Frequently Asked Questions

What is the IUPAC name of [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride?
The IUPAC name of [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride (CID 119472572) is [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride?
The canonical SMILES for [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride is Cc1cc(C)n(-c2ccc(C(=O)N3CCNCC3C)cn2)n1.Cl.Cl.
What is the InChIKey of [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride?
The InChIKey is KAVQJTFGEHVTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O.2ClH/c1-11-8-12(2)21(19-11)15-5-4-14(10-18-15)16(22)20-7-6-17-9-13(20)3;;/h4-5,8,10,13,17H,6-7,9H2,1-3H3;2*1H.
What are the key properties of [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride?
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride has a molecular weight of 372.30 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 119472572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).