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

C15H20N4OS — CID 30956891

IUPAC[3-(3-methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone
SMILESCC(C)CCc1n[nH]c2c1CN(C(=O)c1cscn1)CC2
InChIInChI=1S/C15H20N4OS/c1-10(2)3-4-12-11-7-19(6-5-13(11)18-17-12)15(20)14-8-21-9-16-14/h8-10H,3-7H2,1-2H3,(H,17,18)
InChIKeyDWEJQRPLOVNRPK-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.65
Rot. Bonds4

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

[3-(3-methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 30956891) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is [3-(3-methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(3-methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID30956891
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name[3-(3-methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone
SMILESCC(C)CCc1n[nH]c2c1CN(C(=O)c1cscn1)CC2
InChIInChI=1S/C15H20N4OS/c1-10(2)3-4-12-11-7-19(6-5-13(11)18-17-12)15(20)14-8-21-9-16-14/h8-10H,3-7H2,1-2H3,(H,17,18)
InChIKeyDWEJQRPLOVNRPK-UHFFFAOYSA-N
XLogP2.65
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
CID 71926774
5-[1-[3-(1,3-thiazol-4-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71926909
2-methyl-N-((4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methyl)thiazole-4-carboxamide
CID 91629621
(4-Methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
CID 97388961
N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 97461840
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 71684185
5-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 125525000
N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 72112506
N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;hydrochloride
CID 120470421
N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 120470422
N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 120470452
[3-(Difluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone
CID 137997094

Frequently Asked Questions

What is the IUPAC name of [3-(3-methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-(3-methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone (CID 30956891) is [3-(3-methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-(3-methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-(3-methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone is CC(C)CCc1n[nH]c2c1CN(C(=O)c1cscn1)CC2.
What is the InChIKey of [3-(3-methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is DWEJQRPLOVNRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10(2)3-4-12-11-7-19(6-5-13(11)18-17-12)15(20)14-8-21-9-16-14/h8-10H,3-7H2,1-2H3,(H,17,18).
What are the key properties of [3-(3-methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone?
[3-(3-methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 304.42 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 30956891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).