N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]benzamide

C16H20N4O2 — CID 30181874

IUPACN-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]benzamide
SMILESCC(C)n1nccc1NC(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C16H20N4O2/c1-12(2)20-14(8-11-18-20)19-15(21)9-10-17-16(22)13-6-4-3-5-7-13/h3-8,11-12H,9-10H2,1-2H3,(H,17,22)(H,19,21)
InChIKeyVGJBXDRBHTWBCB-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.22
Rot. Bonds6

About N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]benzamide

N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]benzamide (PubChem CID 30181874) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]benzamide.

Molecular Properties

Compound NameN-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]benzamide
PubChem CID30181874
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]benzamide
SMILESCC(C)n1nccc1NC(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C16H20N4O2/c1-12(2)20-14(8-11-18-20)19-15(21)9-10-17-16(22)13-6-4-3-5-7-13/h3-8,11-12H,9-10H2,1-2H3,(H,17,22)(H,19,21)
InChIKeyVGJBXDRBHTWBCB-UHFFFAOYSA-N
XLogP2.22
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-oxo-4-[(2-propan-2-ylpyrazol-3-yl)amino]butyl]benzamide
CID 30183656
N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]thiophene-3-carboxamide
CID 30183849
tert-butyl N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]carbamate
CID 30184302
N-[3-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]benzamide
CID 51233551
4-amino-N-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 71668599
2-chloro-N-[2-[(2-propan-2-ylpyrazol-3-yl)carbamoylamino]ethyl]benzamide
CID 72868922
N-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]benzamide
CID 33034304
2-(2-ethoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 78772434
4-(4-ethylphenyl)-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 78772185
3-(2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 78772438
N-(2-propan-2-ylpyrazol-3-yl)-4-thiophen-2-ylbutanamide
CID 47097276
4-tert-butyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30182601

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]benzamide?
The IUPAC name of N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]benzamide (CID 30181874) is N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]benzamide.
What is the SMILES notation for N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]benzamide?
The canonical SMILES for N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]benzamide is CC(C)n1nccc1NC(=O)CCNC(=O)c1ccccc1.
What is the InChIKey of N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]benzamide?
The InChIKey is VGJBXDRBHTWBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12(2)20-14(8-11-18-20)19-15(21)9-10-17-16(22)13-6-4-3-5-7-13/h3-8,11-12H,9-10H2,1-2H3,(H,17,22)(H,19,21).
What are the key properties of N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]benzamide?
N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]benzamide has a molecular weight of 300.36 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]benzamide is sourced from PubChem (CID 30181874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).