N-(3-tert-butylphenyl)-1,3-dimethylpyrazole-4-carboxamide

C16H21N3O — CID 158670361

IUPACN-(3-tert-butylphenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1cccc(C(C)(C)C)c1
InChIInChI=1S/C16H21N3O/c1-11-14(10-19(5)18-11)15(20)17-13-8-6-7-12(9-13)16(2,3)4/h6-10H,1-5H3,(H,17,20)
InChIKeyIDWJXBPLINNAGL-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.28
Rot. Bonds2

About N-(3-tert-butylphenyl)-1,3-dimethylpyrazole-4-carboxamide

N-(3-tert-butylphenyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 158670361) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(3-tert-butylphenyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butylphenyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID158670361
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(3-tert-butylphenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1cccc(C(C)(C)C)c1
InChIInChI=1S/C16H21N3O/c1-11-14(10-19(5)18-11)15(20)17-13-8-6-7-12(9-13)16(2,3)4/h6-10H,1-5H3,(H,17,20)
InChIKeyIDWJXBPLINNAGL-UHFFFAOYSA-N
XLogP3.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-carbamothioylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801518
N-[3-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801384
N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285310
N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285321
N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285306
N-(3-tert-butyl-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 158126959
1-methyl-3-N,4-N-bis(3-methylphenyl)pyrazole-3,4-dicarboxamide
CID 29097602
2-chloro-4-[(1,3-dimethylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride
CID 102801412
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474875
N-(2,6-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474782
N-[4-(hydroxymethyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 103895193
1-N,3-N,5-N-tris(3-tert-butylphenyl)benzene-1,3,5-tricarboxamide
CID 67992144

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butylphenyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(3-tert-butylphenyl)-1,3-dimethylpyrazole-4-carboxamide (CID 158670361) is N-(3-tert-butylphenyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-tert-butylphenyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-tert-butylphenyl)-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)Nc1cccc(C(C)(C)C)c1.
What is the InChIKey of N-(3-tert-butylphenyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is IDWJXBPLINNAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-14(10-19(5)18-11)15(20)17-13-8-6-7-12(9-13)16(2,3)4/h6-10H,1-5H3,(H,17,20).
What are the key properties of N-(3-tert-butylphenyl)-1,3-dimethylpyrazole-4-carboxamide?
N-(3-tert-butylphenyl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylphenyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 158670361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).