N-(3,4-dimethylphenyl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide

C18H25N5O — CID 90507000

IUPACN-(3,4-dimethylphenyl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3c(C)n[nH]c3C)CC2)cc1C
InChIInChI=1S/C18H25N5O/c1-12-5-6-16(11-13(12)2)19-18(24)23-9-7-22(8-10-23)17-14(3)20-21-15(17)4/h5-6,11H,7-10H2,1-4H3,(H,19,24)(H,20,21)
InChIKeyLGJXNVKRWJEWDS-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.00
Rot. Bonds2

About N-(3,4-dimethylphenyl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide

N-(3,4-dimethylphenyl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide (PubChem CID 90507000) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide
PubChem CID90507000
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-(3,4-dimethylphenyl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3c(C)n[nH]c3C)CC2)cc1C
InChIInChI=1S/C18H25N5O/c1-12-5-6-16(11-13(12)2)19-18(24)23-9-7-22(8-10-23)17-14(3)20-21-15(17)4/h5-6,11H,7-10H2,1-4H3,(H,19,24)(H,20,21)
InChIKeyLGJXNVKRWJEWDS-UHFFFAOYSA-N
XLogP3.00
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide
CID 90506985
N-(3,4-dimethylphenyl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]acetamide
CID 90507419
4-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111667
4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 90507025
N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 4216629
N-tert-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide
CID 90506981
N-(3,4-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 113111700
N-(3,4-dimethylphenyl)-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113111714
N-(3,4-dimethylphenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 50748089
N-(3,4-dimethylphenyl)-4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 50747897
N-(3,4-dichlorophenyl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]acetamide
CID 90507366
4-(4-chloro-2-methoxy-5-methylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111710

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide (CID 90507000) is N-(3,4-dimethylphenyl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(c3c(C)n[nH]c3C)CC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide?
The InChIKey is LGJXNVKRWJEWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-12-5-6-16(11-13(12)2)19-18(24)23-9-7-22(8-10-23)17-14(3)20-21-15(17)4/h5-6,11H,7-10H2,1-4H3,(H,19,24)(H,20,21).
What are the key properties of N-(3,4-dimethylphenyl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide?
N-(3,4-dimethylphenyl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 90507000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).