3-methoxy-1-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;hydrochloride

C13H24ClN5O4S — CID 71782844

IUPAC3-methoxy-1-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;hydrochloride
SMILESCOc1nn(C)cc1C(=O)NCCN1CCN(S(C)(=O)=O)CC1.Cl
InChIInChI=1S/C13H23N5O4S.ClH/c1-16-10-11(13(15-16)22-2)12(19)14-4-5-17-6-8-18(9-7-17)23(3,20)21;/h10H,4-9H2,1-3H3,(H,14,19);1H
InChIKeyTXYZRIQFKVEXOU-UHFFFAOYSA-N
MW381.89 g/mol
LogP-0.84
Rot. Bonds6

About 3-methoxy-1-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;hydrochloride

3-methoxy-1-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;hydrochloride (PubChem CID 71782844) has the molecular formula C13H24ClN5O4S and a molecular weight of 381.89 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;hydrochloride
PubChem CID71782844
Molecular FormulaC13H24ClN5O4S
Molecular Weight381.89 g/mol
Exact Mass381.12
IUPAC Name3-methoxy-1-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;hydrochloride
SMILESCOc1nn(C)cc1C(=O)NCCN1CCN(S(C)(=O)=O)CC1.Cl
InChIInChI=1S/C13H23N5O4S.ClH/c1-16-10-11(13(15-16)22-2)12(19)14-4-5-17-6-8-18(9-7-17)23(3,20)21;/h10H,4-9H2,1-3H3,(H,14,19);1H
InChIKeyTXYZRIQFKVEXOU-UHFFFAOYSA-N
XLogP-0.84
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 3-methoxy-1-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;hydrochloride (CID 71782844) is 3-methoxy-1-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 3-methoxy-1-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 3-methoxy-1-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;hydrochloride is COc1nn(C)cc1C(=O)NCCN1CCN(S(C)(=O)=O)CC1.Cl.
What is the InChIKey of 3-methoxy-1-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;hydrochloride?
The InChIKey is TXYZRIQFKVEXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O4S.ClH/c1-16-10-11(13(15-16)22-2)12(19)14-4-5-17-6-8-18(9-7-17)23(3,20)21;/h10H,4-9H2,1-3H3,(H,14,19);1H.
What are the key properties of 3-methoxy-1-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;hydrochloride?
3-methoxy-1-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;hydrochloride has a molecular weight of 381.89 g/mol, XLogP of -0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 71782844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).