1-pyrazol-1-yl-3-(thiophen-3-ylamino)propan-2-ol

C10H13N3OS — CID 66351051

IUPAC1-pyrazol-1-yl-3-(thiophen-3-ylamino)propan-2-ol
SMILESOC(CNc1ccsc1)Cn1cccn1
InChIInChI=1S/C10H13N3OS/c14-10(7-13-4-1-3-12-13)6-11-9-2-5-15-8-9/h1-5,8,10-11,14H,6-7H2
InChIKeyWKGCMUZMZNTUBD-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.42
Rot. Bonds5

About 1-pyrazol-1-yl-3-(thiophen-3-ylamino)propan-2-ol

1-pyrazol-1-yl-3-(thiophen-3-ylamino)propan-2-ol (PubChem CID 66351051) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-pyrazol-1-yl-3-(thiophen-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-pyrazol-1-yl-3-(thiophen-3-ylamino)propan-2-ol
PubChem CID66351051
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name1-pyrazol-1-yl-3-(thiophen-3-ylamino)propan-2-ol
SMILESOC(CNc1ccsc1)Cn1cccn1
InChIInChI=1S/C10H13N3OS/c14-10(7-13-4-1-3-12-13)6-11-9-2-5-15-8-9/h1-5,8,10-11,14H,6-7H2
InChIKeyWKGCMUZMZNTUBD-UHFFFAOYSA-N
XLogP1.42
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Aminopyrazol-1-yl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 43527888
4-pyrazol-1-yl-N-thiophen-3-ylbutanamide
CID 60328201
1-Pyrazol-1-yl-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 63248313
2-[4-[(Thiophen-3-ylmethylamino)methyl]pyrazol-1-yl]ethanol
CID 64830986
N-[(1-ethylpyrazol-4-yl)methyl]thiophen-3-amine
CID 66350402
N-(2-pyrazol-1-ylethyl)thiophen-3-amine
CID 66350410
N-[(1-methylpyrazol-4-yl)methyl]thiophen-3-amine
CID 66350546
2-[4-[(Thiophen-3-ylamino)methyl]pyrazol-1-yl]ethanol
CID 66350804
1-(4-Nitropyrazol-1-yl)-3-(thiophen-3-ylamino)propan-2-ol
CID 66351697
2-[4-[(Thiophen-3-ylamino)methyl]triazol-1-yl]ethanol
CID 66352311
1-(3-Pyrazol-1-ylpropyl)-3-thiophen-3-ylurea
CID 71854433
1-[(4-Methylthiophen-3-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 80247605

Frequently Asked Questions

What is the IUPAC name of 1-pyrazol-1-yl-3-(thiophen-3-ylamino)propan-2-ol?
The IUPAC name of 1-pyrazol-1-yl-3-(thiophen-3-ylamino)propan-2-ol (CID 66351051) is 1-pyrazol-1-yl-3-(thiophen-3-ylamino)propan-2-ol.
What is the SMILES notation for 1-pyrazol-1-yl-3-(thiophen-3-ylamino)propan-2-ol?
The canonical SMILES for 1-pyrazol-1-yl-3-(thiophen-3-ylamino)propan-2-ol is OC(CNc1ccsc1)Cn1cccn1.
What is the InChIKey of 1-pyrazol-1-yl-3-(thiophen-3-ylamino)propan-2-ol?
The InChIKey is WKGCMUZMZNTUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c14-10(7-13-4-1-3-12-13)6-11-9-2-5-15-8-9/h1-5,8,10-11,14H,6-7H2.
What are the key properties of 1-pyrazol-1-yl-3-(thiophen-3-ylamino)propan-2-ol?
1-pyrazol-1-yl-3-(thiophen-3-ylamino)propan-2-ol has a molecular weight of 223.30 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazol-1-yl-3-(thiophen-3-ylamino)propan-2-ol is sourced from PubChem (CID 66351051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).