N-(1H-pyrazol-5-yl)-3-thiophen-2-ylprop-2-enamide

C10H9N3OS — CID 61393043

IUPACN-(1H-pyrazol-5-yl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)Nc1ccn[nH]1
InChIInChI=1S/C10H9N3OS/c14-10(12-9-5-6-11-13-9)4-3-8-2-1-7-15-8/h1-7H,(H2,11,12,13,14)
InChIKeyCNJDPPLACGZSLM-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.12
Rot. Bonds3

About N-(1H-pyrazol-5-yl)-3-thiophen-2-ylprop-2-enamide

N-(1H-pyrazol-5-yl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 61393043) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is N-(1H-pyrazol-5-yl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-yl)-3-thiophen-2-ylprop-2-enamide
PubChem CID61393043
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC NameN-(1H-pyrazol-5-yl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)Nc1ccn[nH]1
InChIInChI=1S/C10H9N3OS/c14-10(12-9-5-6-11-13-9)4-3-8-2-1-7-15-8/h1-7H,(H2,11,12,13,14)
InChIKeyCNJDPPLACGZSLM-UHFFFAOYSA-N
XLogP2.12
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-pyridin-3-yl-3-thiophen-2-ylprop-2-enamide
CID 879707
3-(4-bromophenyl)-N-(1H-pyrazol-5-yl)prop-2-enamide
CID 61393521
(E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 28739526
(E)-N-(3-chlorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 922964
(E)-N-(2-pyrazol-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide
CID 122300255
(E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
CID 2165477
N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922899
(E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2146472
(E)-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922914
N-(6-methyl-2-pyridinyl)-3-thiophen-2-ylprop-2-enamide
CID 903281
2-(3-thiophen-2-ylprop-2-enoylamino)benzoic acid
CID 3063368
N-(pyridin-4-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 4165696

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-yl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-(1H-pyrazol-5-yl)-3-thiophen-2-ylprop-2-enamide (CID 61393043) is N-(1H-pyrazol-5-yl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-(1H-pyrazol-5-yl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-(1H-pyrazol-5-yl)-3-thiophen-2-ylprop-2-enamide is O=C(C=Cc1cccs1)Nc1ccn[nH]1.
What is the InChIKey of N-(1H-pyrazol-5-yl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is CNJDPPLACGZSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c14-10(12-9-5-6-11-13-9)4-3-8-2-1-7-15-8/h1-7H,(H2,11,12,13,14).
What are the key properties of N-(1H-pyrazol-5-yl)-3-thiophen-2-ylprop-2-enamide?
N-(1H-pyrazol-5-yl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 219.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-yl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 61393043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).