[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone

C16H17N5OS — CID 95215058

IUPAC[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1-c1cccs1)N1CCC[C@H](c2ccn[nH]2)C1
InChIInChI=1S/C16H17N5OS/c22-16(12-9-18-20-15(12)14-4-2-8-23-14)21-7-1-3-11(10-21)13-5-6-17-19-13/h2,4-6,8-9,11H,1,3,7,10H2,(H,17,19)(H,18,20)/t11-/m0/s1
InChIKeyUUQRJFZFWAKZQT-NSHDSACASA-N
MW327.41 g/mol
LogP2.88
Rot. Bonds3

About [(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone

[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone (PubChem CID 95215058) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is [(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
PubChem CID95215058
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1-c1cccs1)N1CCC[C@H](c2ccn[nH]2)C1
InChIInChI=1S/C16H17N5OS/c22-16(12-9-18-20-15(12)14-4-2-8-23-14)21-7-1-3-11(10-21)13-5-6-17-19-13/h2,4-6,8-9,11H,1,3,7,10H2,(H,17,19)(H,18,20)/t11-/m0/s1
InChIKeyUUQRJFZFWAKZQT-NSHDSACASA-N
XLogP2.88
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone with MolForge

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Related Compounds

[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
CID 56753766
(3S)-1-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 126444333
(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
CID 50978348
6-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 70731429
4-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1H-pyrazole
CID 125009893
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 78917987
(1-methylindol-3-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124605867
(2-chloro-5-fluoro-3-pyridinyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 103892263
[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinoxalin-5-ylmethanone
CID 95198872
(3-benzylpiperazin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
CID 166362581
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone?
The IUPAC name of [(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone (CID 95215058) is [(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1-c1cccs1)N1CCC[C@H](c2ccn[nH]2)C1.
What is the InChIKey of [(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone?
The InChIKey is UUQRJFZFWAKZQT-NSHDSACASA-N. The full InChI is InChI=1S/C16H17N5OS/c22-16(12-9-18-20-15(12)14-4-2-8-23-14)21-7-1-3-11(10-21)13-5-6-17-19-13/h2,4-6,8-9,11H,1,3,7,10H2,(H,17,19)(H,18,20)/t11-/m0/s1.
What are the key properties of [(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone?
[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone has a molecular weight of 327.41 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 95215058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).