N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(9-methylcarbazol-3-yl)acetamide

C20H20N4O — CID 29209063

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(9-methylcarbazol-3-yl)acetamide
SMILESCc1[nH]nc(NC(=O)Cc2ccc3c(c2)c2ccccc2n3C)c1C
InChIInChI=1S/C20H20N4O/c1-12-13(2)22-23-20(12)21-19(25)11-14-8-9-18-16(10-14)15-6-4-5-7-17(15)24(18)3/h4-10H,11H2,1-3H3,(H2,21,22,23,25)
InChIKeyRNXZRKHFZNPZAA-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.85
Rot. Bonds3

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(9-methylcarbazol-3-yl)acetamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(9-methylcarbazol-3-yl)acetamide (PubChem CID 29209063) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(9-methylcarbazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(9-methylcarbazol-3-yl)acetamide
PubChem CID29209063
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(9-methylcarbazol-3-yl)acetamide
SMILESCc1[nH]nc(NC(=O)Cc2ccc3c(c2)c2ccccc2n3C)c1C
InChIInChI=1S/C20H20N4O/c1-12-13(2)22-23-20(12)21-19(25)11-14-8-9-18-16(10-14)15-6-4-5-7-17(15)24(18)3/h4-10H,11H2,1-3H3,(H2,21,22,23,25)
InChIKeyRNXZRKHFZNPZAA-UHFFFAOYSA-N
XLogP3.85
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(9-methylcarbazol-3-yl)acetamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(9-methylcarbazol-3-yl)acetamide (CID 29209063) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(9-methylcarbazol-3-yl)acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(9-methylcarbazol-3-yl)acetamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(9-methylcarbazol-3-yl)acetamide is Cc1[nH]nc(NC(=O)Cc2ccc3c(c2)c2ccccc2n3C)c1C.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(9-methylcarbazol-3-yl)acetamide?
The InChIKey is RNXZRKHFZNPZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-12-13(2)22-23-20(12)21-19(25)11-14-8-9-18-16(10-14)15-6-4-5-7-17(15)24(18)3/h4-10H,11H2,1-3H3,(H2,21,22,23,25).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(9-methylcarbazol-3-yl)acetamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(9-methylcarbazol-3-yl)acetamide has a molecular weight of 332.41 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(9-methylcarbazol-3-yl)acetamide is sourced from PubChem (CID 29209063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).