N-[2-(4-tert-butylphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide

C16H19N3O2 — CID 100636845

IUPACN-[2-(4-tert-butylphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)CNC(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C16H19N3O2/c1-16(2,3)12-6-4-11(5-7-12)14(20)10-17-15(21)13-8-9-18-19-13/h4-9H,10H2,1-3H3,(H,17,21)(H,18,19)
InChIKeyJECONFMLNQAJEE-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.32
Rot. Bonds4

About N-[2-(4-tert-butylphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide

N-[2-(4-tert-butylphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide (PubChem CID 100636845) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide
PubChem CID100636845
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[2-(4-tert-butylphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)CNC(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C16H19N3O2/c1-16(2,3)12-6-4-11(5-7-12)14(20)10-17-15(21)13-8-9-18-19-13/h4-9H,10H2,1-3H3,(H,17,21)(H,18,19)
InChIKeyJECONFMLNQAJEE-UHFFFAOYSA-N
XLogP2.32
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)-2-ethylbutyl]-1H-pyrazole-5-carboxamide
CID 60621598
3-methyl-2-[(1H-pyrazole-5-carbonylamino)methyl]butanoic acid
CID 65220054
N-(2-hydroxy-2-propylpentyl)-1H-pyrazole-5-carboxamide
CID 111444730
N-(2-phenylpropan-2-yl)-1H-pyrazole-5-carboxamide
CID 47444796
N-[(4-carbamothioylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 63080309
N-(2-amino-4-methylpentyl)-1H-pyrazole-5-carboxamide
CID 107158805
1,5-bis(4-tert-butylphenyl)pentane-1,3,5-trione
CID 66932735
N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(1H-pyrazol-5-yl)acetamide
CID 84591726
N-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-carboxamide
CID 114383559
N-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethyl]-1H-pyrazole-5-carboxamide
CID 133452838
N-[2-(2-chlorophenyl)-2-hydroxypropyl]-1H-pyrazole-5-carboxamide
CID 75523447
N-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 100636866

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide (CID 100636845) is N-[2-(4-tert-butylphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide is CC(C)(C)c1ccc(C(=O)CNC(=O)c2ccn[nH]2)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is JECONFMLNQAJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-16(2,3)12-6-4-11(5-7-12)14(20)10-17-15(21)13-8-9-18-19-13/h4-9H,10H2,1-3H3,(H,17,21)(H,18,19).
What are the key properties of N-[2-(4-tert-butylphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide?
N-[2-(4-tert-butylphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 100636845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).