1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-3-(1,3-thiazol-4-yl)propan-1-one

C12H14N4OS — CID 127269288

IUPAC1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-3-(1,3-thiazol-4-yl)propan-1-one
SMILESO=C(CCc1cscn1)N1CCc2[nH]ncc2C1
InChIInChI=1S/C12H14N4OS/c17-12(2-1-10-7-18-8-13-10)16-4-3-11-9(6-16)5-14-15-11/h5,7-8H,1-4,6H2,(H,14,15)
InChIKeyNVBALIOVPAVVRV-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.38
Rot. Bonds3

About 1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-3-(1,3-thiazol-4-yl)propan-1-one

1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-3-(1,3-thiazol-4-yl)propan-1-one (PubChem CID 127269288) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-3-(1,3-thiazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-3-(1,3-thiazol-4-yl)propan-1-one
PubChem CID127269288
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-3-(1,3-thiazol-4-yl)propan-1-one
SMILESO=C(CCc1cscn1)N1CCc2[nH]ncc2C1
InChIInChI=1S/C12H14N4OS/c17-12(2-1-10-7-18-8-13-10)16-4-3-11-9(6-16)5-14-15-11/h5,7-8H,1-4,6H2,(H,14,15)
InChIKeyNVBALIOVPAVVRV-UHFFFAOYSA-N
XLogP1.38
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-3-(1,3-thiazol-4-yl)propan-1-one 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-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
CID 71926774
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
CID 72148051
N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 97461840
4-(1H-Pyrazol-4-YL)-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 122558518
3-(1H-pyrazol-4-yl)-1-[4-(1,3-thiazol-4-yl)piperidin-1-yl]propan-1-one
CID 132319037
2-(1H-pyrazol-5-yl)-1-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 121529899
2-(1H-pyrazol-5-yl)-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 124569623
2-(1H-pyrazol-5-yl)-1-[(3R)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 124569624
3-ethyl-5-{[2-(ethylthio)-1,3-thiazol-4-yl]acetyl}-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 39782330
3-ethyl-5-{[(4-methyl-1,3-thiazol-2-yl)thio]acetyl}-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 39826498
1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 110271048
(2-chloro-4-methyl-1,3-thiazol-5-yl)-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)methanone
CID 69188761

Frequently Asked Questions

What is the IUPAC name of 1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-3-(1,3-thiazol-4-yl)propan-1-one?
The IUPAC name of 1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-3-(1,3-thiazol-4-yl)propan-1-one (CID 127269288) is 1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-3-(1,3-thiazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-3-(1,3-thiazol-4-yl)propan-1-one?
The canonical SMILES for 1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-3-(1,3-thiazol-4-yl)propan-1-one is O=C(CCc1cscn1)N1CCc2[nH]ncc2C1.
What is the InChIKey of 1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-3-(1,3-thiazol-4-yl)propan-1-one?
The InChIKey is NVBALIOVPAVVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c17-12(2-1-10-7-18-8-13-10)16-4-3-11-9(6-16)5-14-15-11/h5,7-8H,1-4,6H2,(H,14,15).
What are the key properties of 1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-3-(1,3-thiazol-4-yl)propan-1-one?
1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-3-(1,3-thiazol-4-yl)propan-1-one has a molecular weight of 262.34 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-3-(1,3-thiazol-4-yl)propan-1-one is sourced from PubChem (CID 127269288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).