N-(2-benzyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide

C18H25N5O — CID 71877049

IUPACN-(2-benzyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCN(C)CC2C)n(Cc2ccccc2)n1
InChIInChI=1S/C18H25N5O/c1-14-11-17(23(20-14)13-16-7-5-4-6-8-16)19-18(24)22-10-9-21(3)12-15(22)2/h4-8,11,15H,9-10,12-13H2,1-3H3,(H,19,24)
InChIKeySRXPVBGKYDTVBW-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.41
Rot. Bonds3

About N-(2-benzyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide

N-(2-benzyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide (PubChem CID 71877049) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(2-benzyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-benzyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide
PubChem CID71877049
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-(2-benzyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCN(C)CC2C)n(Cc2ccccc2)n1
InChIInChI=1S/C18H25N5O/c1-14-11-17(23(20-14)13-16-7-5-4-6-8-16)19-18(24)22-10-9-21(3)12-15(22)2/h4-8,11,15H,9-10,12-13H2,1-3H3,(H,19,24)
InChIKeySRXPVBGKYDTVBW-UHFFFAOYSA-N
XLogP2.41
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide?
The IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide (CID 71877049) is N-(2-benzyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-benzyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-benzyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide is Cc1cc(NC(=O)N2CCN(C)CC2C)n(Cc2ccccc2)n1.
What is the InChIKey of N-(2-benzyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide?
The InChIKey is SRXPVBGKYDTVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14-11-17(23(20-14)13-16-7-5-4-6-8-16)19-18(24)22-10-9-21(3)12-15(22)2/h4-8,11,15H,9-10,12-13H2,1-3H3,(H,19,24).
What are the key properties of N-(2-benzyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide?
N-(2-benzyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 71877049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).