5-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide

C21H23N3O — CID 71824470

IUPAC5-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1cccc(-c2[nH]ncc2C(=O)NCc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C21H23N3O/c1-14(2)17-9-7-16(8-10-17)12-22-21(25)19-13-23-24-20(19)18-6-4-5-15(3)11-18/h4-11,13-14H,12H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyYLAQONBFKGCXHL-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.44
Rot. Bonds5

About 5-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide

5-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 71824470) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID71824470
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name5-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1cccc(-c2[nH]ncc2C(=O)NCc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C21H23N3O/c1-14(2)17-9-7-16(8-10-17)12-22-21(25)19-13-23-24-20(19)18-6-4-5-15(3)11-18/h4-11,13-14H,12H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyYLAQONBFKGCXHL-UHFFFAOYSA-N
XLogP4.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide
CID 53490368
5-(3-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 71824448
5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824675
5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824377
N-benzyl-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824647
5-(3-bromophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824478
5-(3-chloro-4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824226
N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824635
5-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824428
N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824643
N-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 71824412
5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 53490374

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide (CID 71824470) is 5-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide is Cc1cccc(-c2[nH]ncc2C(=O)NCc2ccc(C(C)C)cc2)c1.
What is the InChIKey of 5-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is YLAQONBFKGCXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-14(2)17-9-7-16(8-10-17)12-22-21(25)19-13-23-24-20(19)18-6-4-5-15(3)11-18/h4-11,13-14H,12H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 5-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide?
5-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71824470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).