3-[3-(thiophen-3-ylmethylamino)pyrazol-1-yl]propanamide

C11H14N4OS — CID 71848000

IUPAC3-[3-(thiophen-3-ylmethylamino)pyrazol-1-yl]propanamide
SMILESNC(=O)CCn1ccc(NCc2ccsc2)n1
InChIInChI=1S/C11H14N4OS/c12-10(16)1-4-15-5-2-11(14-15)13-7-9-3-6-17-8-9/h2-3,5-6,8H,1,4,7H2,(H2,12,16)(H,13,14)
InChIKeyKGXJRIHJHDIOOY-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.43
Rot. Bonds6

About 3-[3-(thiophen-3-ylmethylamino)pyrazol-1-yl]propanamide

3-[3-(thiophen-3-ylmethylamino)pyrazol-1-yl]propanamide (PubChem CID 71848000) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 3-[3-(thiophen-3-ylmethylamino)pyrazol-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-(thiophen-3-ylmethylamino)pyrazol-1-yl]propanamide
PubChem CID71848000
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name3-[3-(thiophen-3-ylmethylamino)pyrazol-1-yl]propanamide
SMILESNC(=O)CCn1ccc(NCc2ccsc2)n1
InChIInChI=1S/C11H14N4OS/c12-10(16)1-4-15-5-2-11(14-15)13-7-9-3-6-17-8-9/h2-3,5-6,8H,1,4,7H2,(H2,12,16)(H,13,14)
InChIKeyKGXJRIHJHDIOOY-UHFFFAOYSA-N
XLogP1.43
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(thiophen-3-yl)methyl]-1H-pyrazol-5-amine
CID 4962242
N-(2-propylpyrazol-3-yl)thiophene-3-carboxamide
CID 38995415
N-(1-Ethyl-1H-pyrazol-3-YL)thiophene-3-carboxamide
CID 53017105
N-(1-butyl-4-methyl-1H-pyrazol-5-yl)thiophene-3-carboxamide
CID 47000181
1-(2,2-difluoroethyl)-N-(thiophen-3-ylmethyl)pyrazol-3-amine
CID 115698092
1-methyl-N-(thiophen-3-ylmethyl)-1H-pyrazol-3-amine
CID 19626704
(5-Aminopyrazol-1-yl)-thiophen-3-ylmethanone
CID 90428340
N-(2-methylpyrazol-3-yl)thiophene-3-carboxamide
CID 91603870
(5-Aminopyrazol-1-yl)-thiophen-3-ylmethanone;hydrochloride
CID 135305982
[2-[(2-Cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
CID 9437888
N-(2-cyclopentylpyrazol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9437889
N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 18152632

Frequently Asked Questions

What is the IUPAC name of 3-[3-(thiophen-3-ylmethylamino)pyrazol-1-yl]propanamide?
The IUPAC name of 3-[3-(thiophen-3-ylmethylamino)pyrazol-1-yl]propanamide (CID 71848000) is 3-[3-(thiophen-3-ylmethylamino)pyrazol-1-yl]propanamide.
What is the SMILES notation for 3-[3-(thiophen-3-ylmethylamino)pyrazol-1-yl]propanamide?
The canonical SMILES for 3-[3-(thiophen-3-ylmethylamino)pyrazol-1-yl]propanamide is NC(=O)CCn1ccc(NCc2ccsc2)n1.
What is the InChIKey of 3-[3-(thiophen-3-ylmethylamino)pyrazol-1-yl]propanamide?
The InChIKey is KGXJRIHJHDIOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c12-10(16)1-4-15-5-2-11(14-15)13-7-9-3-6-17-8-9/h2-3,5-6,8H,1,4,7H2,(H2,12,16)(H,13,14).
What are the key properties of 3-[3-(thiophen-3-ylmethylamino)pyrazol-1-yl]propanamide?
3-[3-(thiophen-3-ylmethylamino)pyrazol-1-yl]propanamide has a molecular weight of 250.33 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(thiophen-3-ylmethylamino)pyrazol-1-yl]propanamide is sourced from PubChem (CID 71848000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).