[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone

C19H23N3O — CID 124997224

IUPAC[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESCc1cn[nH]c1[C@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1
InChIInChI=1S/C19H23N3O/c1-14-12-20-21-17(14)15-6-5-11-22(13-15)18(23)19(9-10-19)16-7-3-2-4-8-16/h2-4,7-8,12,15H,5-6,9-11,13H2,1H3,(H,20,21)/t15-/m0/s1
InChIKeyQYOYMATVLFQWJP-HNNXBMFYSA-N
MW309.41 g/mol
LogP3.16
Rot. Bonds3

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

[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone (PubChem CID 124997224) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is [(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
PubChem CID124997224
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESCc1cn[nH]c1[C@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1
InChIInChI=1S/C19H23N3O/c1-14-12-20-21-17(14)15-6-5-11-22(13-15)18(23)19(9-10-19)16-7-3-2-4-8-16/h2-4,7-8,12,15H,5-6,9-11,13H2,1H3,(H,20,21)/t15-/m0/s1
InChIKeyQYOYMATVLFQWJP-HNNXBMFYSA-N
XLogP3.16
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-[1-(1-phenylcyclobutanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 75473787
[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 124961992
[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 53192155
1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 95844950
2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid
CID 125010591
[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 71876645
3-amino-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 171687293
(1-methylindol-3-yl)-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 127247491
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95845478
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110270937
(E)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 124979520
1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110106276

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
The IUPAC name of [(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone (CID 124997224) is [(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for [(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
The canonical SMILES for [(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone is Cc1cn[nH]c1[C@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1.
What is the InChIKey of [(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
The InChIKey is QYOYMATVLFQWJP-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14-12-20-21-17(14)15-6-5-11-22(13-15)18(23)19(9-10-19)16-7-3-2-4-8-16/h2-4,7-8,12,15H,5-6,9-11,13H2,1H3,(H,20,21)/t15-/m0/s1.
What are the key properties of [(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone has a molecular weight of 309.41 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 124997224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).