4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide

C17H23N5O — CID 90507025

IUPAC4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCN(c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C17H23N5O/c1-12-6-4-5-7-15(12)18-17(23)22-10-8-21(9-11-22)16-13(2)19-20-14(16)3/h4-7H,8-11H2,1-3H3,(H,18,23)(H,19,20)
InChIKeyBHXFZZORZQJPID-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.69
Rot. Bonds2

About 4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide

4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide (PubChem CID 90507025) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide
PubChem CID90507025
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCN(c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C17H23N5O/c1-12-6-4-5-7-15(12)18-17(23)22-10-8-21(9-11-22)16-13(2)19-20-14(16)3/h4-7H,8-11H2,1-3H3,(H,18,23)(H,19,20)
InChIKeyBHXFZZORZQJPID-UHFFFAOYSA-N
XLogP2.69
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide
CID 90507000
N-(4-chlorophenyl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide
CID 90506985
N-tert-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide
CID 90506981
N-(2-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111145
N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583
4-(2,6-dimethylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113111831
methyl 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113111137
4-(4-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 6460818
2-(2-chlorophenyl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]ethanone
CID 90506507
N-(2-methylphenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 47001194
N-(2,5-dimethylphenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 23829397
2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 90507372

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide (CID 90507025) is 4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide is Cc1ccccc1NC(=O)N1CCN(c2c(C)n[nH]c2C)CC1.
What is the InChIKey of 4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide?
The InChIKey is BHXFZZORZQJPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12-6-4-5-7-15(12)18-17(23)22-10-8-21(9-11-22)16-13(2)19-20-14(16)3/h4-7H,8-11H2,1-3H3,(H,18,23)(H,19,20).
What are the key properties of 4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide?
4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 90507025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).