(5-methyl-1-phenylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride

C16H21ClN4O — CID 119472417

IUPAC(5-methyl-1-phenylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCc1c(C(=O)N2CCNCC2C)cnn1-c1ccccc1.Cl
InChIInChI=1S/C16H20N4O.ClH/c1-12-10-17-8-9-19(12)16(21)15-11-18-20(13(15)2)14-6-4-3-5-7-14;/h3-7,11-12,17H,8-10H2,1-2H3;1H
InChIKeySSRDENSJMGSRHQ-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.04
Rot. Bonds2

About (5-methyl-1-phenylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride

(5-methyl-1-phenylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119472417) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is (5-methyl-1-phenylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(5-methyl-1-phenylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119472417
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC Name(5-methyl-1-phenylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCc1c(C(=O)N2CCNCC2C)cnn1-c1ccccc1.Cl
InChIInChI=1S/C16H20N4O.ClH/c1-12-10-17-8-9-19(12)16(21)15-11-18-20(13(15)2)14-6-4-3-5-7-14;/h3-7,11-12,17H,8-10H2,1-2H3;1H
InChIKeySSRDENSJMGSRHQ-UHFFFAOYSA-N
XLogP2.04
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylpiperazin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone;hydrochloride
CID 119470274
(5-methyl-1-phenylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995115
[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731575
(2-methylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone;hydrochloride
CID 119471534
(2-iodophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82704622
5-methyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 119427580
[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472333
3-[(2S)-2-methylpiperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride
CID 137127774
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride
CID 119650990
[1-(3-bromophenyl)-5-methylpyrazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120572919
(2-methyl-2,3-dihydroindol-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 46538773
(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 138047673

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-phenylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (5-methyl-1-phenylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride (CID 119472417) is (5-methyl-1-phenylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (5-methyl-1-phenylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (5-methyl-1-phenylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride is Cc1c(C(=O)N2CCNCC2C)cnn1-c1ccccc1.Cl.
What is the InChIKey of (5-methyl-1-phenylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is SSRDENSJMGSRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O.ClH/c1-12-10-17-8-9-19(12)16(21)15-11-18-20(13(15)2)14-6-4-3-5-7-14;/h3-7,11-12,17H,8-10H2,1-2H3;1H.
What are the key properties of (5-methyl-1-phenylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
(5-methyl-1-phenylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 320.82 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-phenylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119472417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).