N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride

C19H30Cl2N6O — CID 120755819

IUPACN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride
SMILESCc1cc(NC(=O)CN2CCNCC2c2cccnc2)n(C(C)(C)C)n1.Cl.Cl
InChIInChI=1S/C19H28N6O.2ClH/c1-14-10-17(25(23-14)19(2,3)4)22-18(26)13-24-9-8-21-12-16(24)15-6-5-7-20-11-15;;/h5-7,10-11,16,21H,8-9,12-13H2,1-4H3,(H,22,26);2*1H
InChIKeyXBSXHIJDFBMQPZ-UHFFFAOYSA-N
MW429.40 g/mol
LogP2.77
Rot. Bonds4

About N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride

N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride (PubChem CID 120755819) has the molecular formula C19H30Cl2N6O and a molecular weight of 429.40 g/mol. Its IUPAC name is N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride
PubChem CID120755819
Molecular FormulaC19H30Cl2N6O
Molecular Weight429.40 g/mol
Exact Mass428.19
IUPAC NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride
SMILESCc1cc(NC(=O)CN2CCNCC2c2cccnc2)n(C(C)(C)C)n1.Cl.Cl
InChIInChI=1S/C19H28N6O.2ClH/c1-14-10-17(25(23-14)19(2,3)4)22-18(26)13-24-9-8-21-12-16(24)15-6-5-7-20-11-15;;/h5-7,10-11,16,21H,8-9,12-13H2,1-4H3,(H,22,26);2*1H
InChIKeyXBSXHIJDFBMQPZ-UHFFFAOYSA-N
XLogP2.77
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;dihydrochloride
CID 120757022
N-(2,6-dimethylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755901
N-(2,6-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755673
N-(4-fluorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755246
N-(4-chloro-2-methylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755860
N-(4-propan-2-ylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754746
N-[(4-methylphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754234
N-(2-bromophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754684
N-(2-chlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755903
N-[(4-methoxyphenyl)carbamoyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755324
N-(2,3-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754934
N-(2-methoxyphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754525

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride?
The IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride (CID 120755819) is N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride.
What is the SMILES notation for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride?
The canonical SMILES for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride is Cc1cc(NC(=O)CN2CCNCC2c2cccnc2)n(C(C)(C)C)n1.Cl.Cl.
What is the InChIKey of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride?
The InChIKey is XBSXHIJDFBMQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O.2ClH/c1-14-10-17(25(23-14)19(2,3)4)22-18(26)13-24-9-8-21-12-16(24)15-6-5-7-20-11-15;;/h5-7,10-11,16,21H,8-9,12-13H2,1-4H3,(H,22,26);2*1H.
What are the key properties of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride?
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride has a molecular weight of 429.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120755819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).