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

C14H18N4O2S — CID 30183849

IUPACN-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]thiophene-3-carboxamide
SMILESCC(C)n1nccc1NC(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C14H18N4O2S/c1-10(2)18-12(3-7-16-18)17-13(19)4-6-15-14(20)11-5-8-21-9-11/h3,5,7-10H,4,6H2,1-2H3,(H,15,20)(H,17,19)
InChIKeyGBOPWTBWCCWBGC-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.28
Rot. Bonds6

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

N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]thiophene-3-carboxamide (PubChem CID 30183849) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]thiophene-3-carboxamide
PubChem CID30183849
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]thiophene-3-carboxamide
SMILESCC(C)n1nccc1NC(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C14H18N4O2S/c1-10(2)18-12(3-7-16-18)17-13(19)4-6-15-14(20)11-5-8-21-9-11/h3,5,7-10H,4,6H2,1-2H3,(H,15,20)(H,17,19)
InChIKeyGBOPWTBWCCWBGC-UHFFFAOYSA-N
XLogP2.28
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]benzamide
CID 30181874
N-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropanamide
CID 47110779
N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-3-ylacetamide
CID 30183297
N-[4-oxo-4-[(2-propan-2-ylpyrazol-3-yl)amino]butyl]benzamide
CID 30183656
N-(2-butan-2-ylpyrazol-3-yl)thiophene-3-carboxamide
CID 134025810
tert-butyl N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]carbamate
CID 30184302
N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 43043343
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 30266946
N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 18106915
N-[3-(5-methylhexan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 78803837
4-amino-N-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 71668599
N-[3-(2,6-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 78802763

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]thiophene-3-carboxamide (CID 30183849) is N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]thiophene-3-carboxamide is CC(C)n1nccc1NC(=O)CCNC(=O)c1ccsc1.
What is the InChIKey of N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]thiophene-3-carboxamide?
The InChIKey is GBOPWTBWCCWBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-10(2)18-12(3-7-16-18)17-13(19)4-6-15-14(20)11-5-8-21-9-11/h3,5,7-10H,4,6H2,1-2H3,(H,15,20)(H,17,19).
What are the key properties of N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]thiophene-3-carboxamide?
N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]thiophene-3-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]thiophene-3-carboxamide is sourced from PubChem (CID 30183849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).