N-(2-benzylpyrazol-3-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide

C19H23N5O — CID 47037212

IUPACN-(2-benzylpyrazol-3-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccnn2Cc2ccccc2)cnn1C(C)(C)C
InChIInChI=1S/C19H23N5O/c1-14-16(12-21-24(14)19(2,3)4)18(25)22-17-10-11-20-23(17)13-15-8-6-5-7-9-15/h5-12H,13H2,1-4H3,(H,22,25)
InChIKeyMIFCJUODXCUFSQ-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.44
Rot. Bonds4

About N-(2-benzylpyrazol-3-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide

N-(2-benzylpyrazol-3-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide (PubChem CID 47037212) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-(2-benzylpyrazol-3-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-benzylpyrazol-3-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide
PubChem CID47037212
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-(2-benzylpyrazol-3-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccnn2Cc2ccccc2)cnn1C(C)(C)C
InChIInChI=1S/C19H23N5O/c1-14-16(12-21-24(14)19(2,3)4)18(25)22-17-10-11-20-23(17)13-15-8-6-5-7-9-15/h5-12H,13H2,1-4H3,(H,22,25)
InChIKeyMIFCJUODXCUFSQ-UHFFFAOYSA-N
XLogP3.44
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-benzylpyrazol-3-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylpyrazol-3-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2-benzylpyrazol-3-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide (CID 47037212) is N-(2-benzylpyrazol-3-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-benzylpyrazol-3-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-benzylpyrazol-3-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccnn2Cc2ccccc2)cnn1C(C)(C)C.
What is the InChIKey of N-(2-benzylpyrazol-3-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide?
The InChIKey is MIFCJUODXCUFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-14-16(12-21-24(14)19(2,3)4)18(25)22-17-10-11-20-23(17)13-15-8-6-5-7-9-15/h5-12H,13H2,1-4H3,(H,22,25).
What are the key properties of N-(2-benzylpyrazol-3-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide?
N-(2-benzylpyrazol-3-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide has a molecular weight of 337.43 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylpyrazol-3-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 47037212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).