N-(1-ethylpyrazol-4-yl)-3-phenyl-2-sulfanylpropanamide

C14H17N3OS — CID 107022931

IUPACN-(1-ethylpyrazol-4-yl)-3-phenyl-2-sulfanylpropanamide
SMILESCCn1cc(NC(=O)C(S)Cc2ccccc2)cn1
InChIInChI=1S/C14H17N3OS/c1-2-17-10-12(9-15-17)16-14(18)13(19)8-11-6-4-3-5-7-11/h3-7,9-10,13,19H,2,8H2,1H3,(H,16,18)
InChIKeyQKGPAKWWNCNAGU-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.38
Rot. Bonds5

About N-(1-ethylpyrazol-4-yl)-3-phenyl-2-sulfanylpropanamide

N-(1-ethylpyrazol-4-yl)-3-phenyl-2-sulfanylpropanamide (PubChem CID 107022931) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-3-phenyl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-3-phenyl-2-sulfanylpropanamide
PubChem CID107022931
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-(1-ethylpyrazol-4-yl)-3-phenyl-2-sulfanylpropanamide
SMILESCCn1cc(NC(=O)C(S)Cc2ccccc2)cn1
InChIInChI=1S/C14H17N3OS/c1-2-17-10-12(9-15-17)16-14(18)13(19)8-11-6-4-3-5-7-11/h3-7,9-10,13,19H,2,8H2,1H3,(H,16,18)
InChIKeyQKGPAKWWNCNAGU-UHFFFAOYSA-N
XLogP2.38
TPSA46.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide;hydrochloride
CID 119292189
2-amino-N-(1-ethylpyrazol-4-yl)-2-phenylacetamide
CID 43543649
N-(1-ethylpyrazol-4-yl)-3-methyl-2-sulfanylbutanamide
CID 107022932
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide
CID 43705851
1-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-(1-ethylpyrazol-4-yl)urea
CID 55769917
N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylpropanamide
CID 107020855
N-(1-benzylpyrazol-4-yl)-2-bromo-3-methylbutanamide
CID 60934374
2-(aminomethyl)-N-(1-benzylpyrazol-4-yl)pentanamide
CID 65229818
3-phenyl-2-sulfanyl-N-thiophen-3-ylpropanamide
CID 107031808
4-[(1-ethylpyrazol-4-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991438
N-(1-ethylpyrazol-4-yl)-2-methylbenzamide
CID 51078638

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-3-phenyl-2-sulfanylpropanamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-3-phenyl-2-sulfanylpropanamide (CID 107022931) is N-(1-ethylpyrazol-4-yl)-3-phenyl-2-sulfanylpropanamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-3-phenyl-2-sulfanylpropanamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-3-phenyl-2-sulfanylpropanamide is CCn1cc(NC(=O)C(S)Cc2ccccc2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-3-phenyl-2-sulfanylpropanamide?
The InChIKey is QKGPAKWWNCNAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-2-17-10-12(9-15-17)16-14(18)13(19)8-11-6-4-3-5-7-11/h3-7,9-10,13,19H,2,8H2,1H3,(H,16,18).
What are the key properties of N-(1-ethylpyrazol-4-yl)-3-phenyl-2-sulfanylpropanamide?
N-(1-ethylpyrazol-4-yl)-3-phenyl-2-sulfanylpropanamide has a molecular weight of 275.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-3-phenyl-2-sulfanylpropanamide is sourced from PubChem (CID 107022931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).