N-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]benzamide

C16H20N4O2 — CID 86861977

IUPACN-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]benzamide
SMILESCC(C)(C)n1cc(NC(=O)CNC(=O)c2ccccc2)cn1
InChIInChI=1S/C16H20N4O2/c1-16(2,3)20-11-13(9-18-20)19-14(21)10-17-15(22)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H,17,22)(H,19,21)
InChIKeyWLRFYWZAMHWHSZ-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.01
Rot. Bonds4

About N-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]benzamide

N-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]benzamide (PubChem CID 86861977) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]benzamide
PubChem CID86861977
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]benzamide
SMILESCC(C)(C)n1cc(NC(=O)CNC(=O)c2ccccc2)cn1
InChIInChI=1S/C16H20N4O2/c1-16(2,3)20-11-13(9-18-20)19-14(21)10-17-15(22)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H,17,22)(H,19,21)
InChIKeyWLRFYWZAMHWHSZ-UHFFFAOYSA-N
XLogP2.01
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697471
2-[4-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697747
N-(2-anilino-2-oxoethyl)-4-methylbenzamide
CID 4010991
N-(1-tert-butylpyrazol-4-yl)pentanamide
CID 86860471
2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid
CID 120696431
N-[2-[(6-chloro-5-methyl-3-pyridinyl)amino]-2-oxoethyl]benzamide
CID 103745282
2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696583
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
N-(1-tert-butylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 138992861
N-(1-tert-butylpyrazol-4-yl)-2-methylsulfonylbenzamide
CID 86860481
N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide
CID 110745069
2-(1,2-benzoxazol-3-yl)-N-(1-tert-butylpyrazol-4-yl)acetamide
CID 86860516

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]benzamide (CID 86861977) is N-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]benzamide is CC(C)(C)n1cc(NC(=O)CNC(=O)c2ccccc2)cn1.
What is the InChIKey of N-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is WLRFYWZAMHWHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-16(2,3)20-11-13(9-18-20)19-14(21)10-17-15(22)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H,17,22)(H,19,21).
What are the key properties of N-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]benzamide?
N-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 300.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 86861977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).