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

C19H23N5O — CID 95212418

IUPAC[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
SMILESCCc1cn[nH]c1[C@H]1CCCN(C(=O)c2n[nH]c3ccc(C)cc23)C1
InChIInChI=1S/C19H23N5O/c1-3-13-10-20-22-17(13)14-5-4-8-24(11-14)19(25)18-15-9-12(2)6-7-16(15)21-23-18/h6-7,9-10,14H,3-5,8,11H2,1-2H3,(H,20,22)(H,21,23)/t14-/m0/s1
InChIKeyAVPBIMKSARUEEB-AWEZNQCLSA-N
MW337.43 g/mol
LogP3.18
Rot. Bonds3

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

[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone (PubChem CID 95212418) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is [(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
PubChem CID95212418
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
SMILESCCc1cn[nH]c1[C@H]1CCCN(C(=O)c2n[nH]c3ccc(C)cc23)C1
InChIInChI=1S/C19H23N5O/c1-3-13-10-20-22-17(13)14-5-4-8-24(11-14)19(25)18-15-9-12(2)6-7-16(15)21-23-18/h6-7,9-10,14H,3-5,8,11H2,1-2H3,(H,20,22)(H,21,23)/t14-/m0/s1
InChIKeyAVPBIMKSARUEEB-AWEZNQCLSA-N
XLogP3.18
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone with MolForge

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Related Compounds

(3S)-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxylic acid
CID 124698920
[(3S)-3-aminopyrrolidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 124698924
(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95222680
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56755087
[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 95221550
1-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-4-methylpentane-1,2-dione
CID 95214259
(5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone
CID 78869833
3-[3-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-oxopropyl]-5-methyl-1,3-benzoxazol-2-one
CID 95221485
(5-methyl-1H-indazol-3-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95834667
1-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 126466575
3-(5-methyl-1H-indazole-3-carbonyl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-6-one
CID 169170579
1H-indazol-3-yl-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124998301

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone?
The IUPAC name of [(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone (CID 95212418) is [(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone.
What is the SMILES notation for [(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone?
The canonical SMILES for [(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone is CCc1cn[nH]c1[C@H]1CCCN(C(=O)c2n[nH]c3ccc(C)cc23)C1.
What is the InChIKey of [(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone?
The InChIKey is AVPBIMKSARUEEB-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N5O/c1-3-13-10-20-22-17(13)14-5-4-8-24(11-14)19(25)18-15-9-12(2)6-7-16(15)21-23-18/h6-7,9-10,14H,3-5,8,11H2,1-2H3,(H,20,22)(H,21,23)/t14-/m0/s1.
What are the key properties of [(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone?
[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone has a molecular weight of 337.43 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone is sourced from PubChem (CID 95212418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).