(5-aminopyrazol-1-yl)-thiophen-3-ylmethanone;hydrochloride

C8H8ClN3OS — CID 135305982

IUPAC(5-aminopyrazol-1-yl)-thiophen-3-ylmethanone;hydrochloride
SMILESCl.Nc1ccnn1C(=O)c1ccsc1
InChIInChI=1S/C8H7N3OS.ClH/c9-7-1-3-10-11(7)8(12)6-2-4-13-5-6;/h1-5H,9H2;1H
InChIKeyZOXLOMXDPPETBD-UHFFFAOYSA-N
MW229.69 g/mol
LogP1.64
Rot. Bonds1

About (5-aminopyrazol-1-yl)-thiophen-3-ylmethanone;hydrochloride

(5-aminopyrazol-1-yl)-thiophen-3-ylmethanone;hydrochloride (PubChem CID 135305982) has the molecular formula C8H8ClN3OS and a molecular weight of 229.69 g/mol. Its IUPAC name is (5-aminopyrazol-1-yl)-thiophen-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(5-aminopyrazol-1-yl)-thiophen-3-ylmethanone;hydrochloride
PubChem CID135305982
Molecular FormulaC8H8ClN3OS
Molecular Weight229.69 g/mol
Exact Mass229.01
IUPAC Name(5-aminopyrazol-1-yl)-thiophen-3-ylmethanone;hydrochloride
SMILESCl.Nc1ccnn1C(=O)c1ccsc1
InChIInChI=1S/C8H7N3OS.ClH/c9-7-1-3-10-11(7)8(12)6-2-4-13-5-6;/h1-5H,9H2;1H
InChIKeyZOXLOMXDPPETBD-UHFFFAOYSA-N
XLogP1.64
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-aminopyrazol-1-yl)-thiophen-3-ylmethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
5-iodo-N-(1H-pyrazol-5-yl)thiophene-3-carboxamide
CID 53599815
N-(1-butyl-4-methyl-1H-pyrazol-5-yl)thiophene-3-carboxamide
CID 47000181
3-[3-(Thiophen-3-ylmethylamino)pyrazol-1-yl]propanamide
CID 71848000
N-(1H-pyrazol-5-yl)thiophene-3-carboxamide
CID 61393037
(5-Aminopyrazol-1-yl)-thiophen-3-ylmethanone
CID 90428340
N-(2-methylpyrazol-3-yl)thiophene-3-carboxamide
CID 91603870
3-Thia-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,9,11-tetraen-7-one
CID 162392069
N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 18152632
N-[4-[(1-methylpyrazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
CID 18152633

Frequently Asked Questions

What is the IUPAC name of (5-aminopyrazol-1-yl)-thiophen-3-ylmethanone;hydrochloride?
The IUPAC name of (5-aminopyrazol-1-yl)-thiophen-3-ylmethanone;hydrochloride (CID 135305982) is (5-aminopyrazol-1-yl)-thiophen-3-ylmethanone;hydrochloride.
What is the SMILES notation for (5-aminopyrazol-1-yl)-thiophen-3-ylmethanone;hydrochloride?
The canonical SMILES for (5-aminopyrazol-1-yl)-thiophen-3-ylmethanone;hydrochloride is Cl.Nc1ccnn1C(=O)c1ccsc1.
What is the InChIKey of (5-aminopyrazol-1-yl)-thiophen-3-ylmethanone;hydrochloride?
The InChIKey is ZOXLOMXDPPETBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS.ClH/c9-7-1-3-10-11(7)8(12)6-2-4-13-5-6;/h1-5H,9H2;1H.
What are the key properties of (5-aminopyrazol-1-yl)-thiophen-3-ylmethanone;hydrochloride?
(5-aminopyrazol-1-yl)-thiophen-3-ylmethanone;hydrochloride has a molecular weight of 229.69 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminopyrazol-1-yl)-thiophen-3-ylmethanone;hydrochloride is sourced from PubChem (CID 135305982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).