3-indazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

C18H21N5O — CID 95829634

IUPAC3-indazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCn1ncc2ccccc21)N1CCC[C@H](c2ccn[nH]2)C1
InChIInChI=1S/C18H21N5O/c24-18(8-11-23-17-6-2-1-4-14(17)12-20-23)22-10-3-5-15(13-22)16-7-9-19-21-16/h1-2,4,6-7,9,12,15H,3,5,8,10-11,13H2,(H,19,21)/t15-/m0/s1
InChIKeyQJQHZBYQRRVRLZ-HNNXBMFYSA-N
MW323.40 g/mol
LogP2.56
Rot. Bonds4

About 3-indazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

3-indazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 95829634) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-indazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-indazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID95829634
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name3-indazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCn1ncc2ccccc21)N1CCC[C@H](c2ccn[nH]2)C1
InChIInChI=1S/C18H21N5O/c24-18(8-11-23-17-6-2-1-4-14(17)12-20-23)22-10-3-5-15(13-22)16-7-9-19-21-16/h1-2,4,6-7,9,12,15H,3,5,8,10-11,13H2,(H,19,21)/t15-/m0/s1
InChIKeyQJQHZBYQRRVRLZ-HNNXBMFYSA-N
XLogP2.56
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-indazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-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

3-(5-methylpyrazol-1-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 110259223
3-indazol-1-yl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 125020977
2-[3-oxo-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 95765291
1-phenyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]butane-1,4-dione
CID 97080910
1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one
CID 110259297
3-(1-methylpyrazol-4-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 131929330
3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 54873257
3-imidazol-1-yl-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 124966328
1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 125012670
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
(1-methylindol-3-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124605867
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071

Frequently Asked Questions

What is the IUPAC name of 3-indazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-indazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (CID 95829634) is 3-indazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-indazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-indazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is O=C(CCn1ncc2ccccc21)N1CCC[C@H](c2ccn[nH]2)C1.
What is the InChIKey of 3-indazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is QJQHZBYQRRVRLZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N5O/c24-18(8-11-23-17-6-2-1-4-14(17)12-20-23)22-10-3-5-15(13-22)16-7-9-19-21-16/h1-2,4,6-7,9,12,15H,3,5,8,10-11,13H2,(H,19,21)/t15-/m0/s1.
What are the key properties of 3-indazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
3-indazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 323.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95829634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).