N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-thiophen-3-ylpropanamide

C18H19N3OS — CID 134000730

IUPACN-[2-(1-phenylpyrazol-4-yl)ethyl]-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H19N3OS/c22-18(7-6-15-9-11-23-14-15)19-10-8-16-12-20-21(13-16)17-4-2-1-3-5-17/h1-5,9,11-14H,6-8,10H2,(H,19,22)
InChIKeyVWKWQUCRYWMSON-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.23
Rot. Bonds7

About N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-thiophen-3-ylpropanamide

N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-thiophen-3-ylpropanamide (PubChem CID 134000730) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[2-(1-phenylpyrazol-4-yl)ethyl]-3-thiophen-3-ylpropanamide
PubChem CID134000730
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-[2-(1-phenylpyrazol-4-yl)ethyl]-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H19N3OS/c22-18(7-6-15-9-11-23-14-15)19-10-8-16-12-20-21(13-16)17-4-2-1-3-5-17/h1-5,9,11-14H,6-8,10H2,(H,19,22)
InChIKeyVWKWQUCRYWMSON-UHFFFAOYSA-N
XLogP3.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(methylamino)propyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119430045
1-ethyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]-2-(thiophen-3-ylmethyl)guanidine
CID 111938837
N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 29261722
N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 46602126
N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 134000509
N-[2-(1H-indol-3-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 24512620
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000703
3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide
CID 119700606
3-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
CID 131904380
N-[2-(4-methylphenoxy)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 38449360
N-[2-(cycloheptylamino)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119619446
N-(3-indol-1-ylpropyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 55436838

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-thiophen-3-ylpropanamide (CID 134000730) is N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-thiophen-3-ylpropanamide is O=C(CCc1ccsc1)NCCc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-thiophen-3-ylpropanamide?
The InChIKey is VWKWQUCRYWMSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c22-18(7-6-15-9-11-23-14-15)19-10-8-16-12-20-21(13-16)17-4-2-1-3-5-17/h1-5,9,11-14H,6-8,10H2,(H,19,22).
What are the key properties of N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-thiophen-3-ylpropanamide?
N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-thiophen-3-ylpropanamide has a molecular weight of 325.44 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 134000730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).