N-(2-propylpyrazol-3-yl)-3-thiophen-3-ylpropanamide

C13H17N3OS — CID 38995471

IUPACN-(2-propylpyrazol-3-yl)-3-thiophen-3-ylpropanamide
SMILESCCCn1nccc1NC(=O)CCc1ccsc1
InChIInChI=1S/C13H17N3OS/c1-2-8-16-12(5-7-14-16)15-13(17)4-3-11-6-9-18-10-11/h5-7,9-10H,2-4,8H2,1H3,(H,15,17)
InChIKeyJKSIGLWJXZELDS-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.93
Rot. Bonds6

About N-(2-propylpyrazol-3-yl)-3-thiophen-3-ylpropanamide

N-(2-propylpyrazol-3-yl)-3-thiophen-3-ylpropanamide (PubChem CID 38995471) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-(2-propylpyrazol-3-yl)-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-(2-propylpyrazol-3-yl)-3-thiophen-3-ylpropanamide
PubChem CID38995471
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-(2-propylpyrazol-3-yl)-3-thiophen-3-ylpropanamide
SMILESCCCn1nccc1NC(=O)CCc1ccsc1
InChIInChI=1S/C13H17N3OS/c1-2-8-16-12(5-7-14-16)15-13(17)4-3-11-6-9-18-10-11/h5-7,9-10H,2-4,8H2,1H3,(H,15,17)
InChIKeyJKSIGLWJXZELDS-UHFFFAOYSA-N
XLogP2.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropanamide
CID 47110779
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-thiophen-3-ylpropanamide
CID 43033842
2-propyl-N-(thiophen-3-ylmethyl)pyrazol-3-amine;hydrochloride
CID 115606235
5-(4-bromophenyl)-N-(2-propylpyrazol-3-yl)pentanamide
CID 55760974
N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide
CID 71993648
N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-3-ylacetamide
CID 30183297
N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-ylpropanamide
CID 78801819
N-(2-propylpyrazol-3-yl)thiophene-2-carboxamide
CID 38995701
(2S)-2-(3-thiophen-3-ylpropanoylamino)pentanoic acid
CID 99851728
2-propylsulfonyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide
CID 56789233
2-[2-hydroxyethyl(methyl)amino]-N-(2-propylpyrazol-3-yl)acetamide
CID 111123044
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-thiophen-3-ylacetamide
CID 18096280

Frequently Asked Questions

What is the IUPAC name of N-(2-propylpyrazol-3-yl)-3-thiophen-3-ylpropanamide?
The IUPAC name of N-(2-propylpyrazol-3-yl)-3-thiophen-3-ylpropanamide (CID 38995471) is N-(2-propylpyrazol-3-yl)-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-(2-propylpyrazol-3-yl)-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-(2-propylpyrazol-3-yl)-3-thiophen-3-ylpropanamide is CCCn1nccc1NC(=O)CCc1ccsc1.
What is the InChIKey of N-(2-propylpyrazol-3-yl)-3-thiophen-3-ylpropanamide?
The InChIKey is JKSIGLWJXZELDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-2-8-16-12(5-7-14-16)15-13(17)4-3-11-6-9-18-10-11/h5-7,9-10H,2-4,8H2,1H3,(H,15,17).
What are the key properties of N-(2-propylpyrazol-3-yl)-3-thiophen-3-ylpropanamide?
N-(2-propylpyrazol-3-yl)-3-thiophen-3-ylpropanamide has a molecular weight of 263.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propylpyrazol-3-yl)-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 38995471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).