(1-benzylpyrazol-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone

C17H21N3O — CID 35763357

IUPAC(1-benzylpyrazol-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESC[C@H]1CCCN(C(=O)c2cnn(Cc3ccccc3)c2)C1
InChIInChI=1S/C17H21N3O/c1-14-6-5-9-19(11-14)17(21)16-10-18-20(13-16)12-15-7-3-2-4-8-15/h2-4,7-8,10,13-14H,5-6,9,11-12H2,1H3/t14-/m0/s1
InChIKeyFCNGYMUXSRCRAQ-AWEZNQCLSA-N
MW283.38 g/mol
LogP2.80
Rot. Bonds3

About (1-benzylpyrazol-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone

(1-benzylpyrazol-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone (PubChem CID 35763357) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (1-benzylpyrazol-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzylpyrazol-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
PubChem CID35763357
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(1-benzylpyrazol-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESC[C@H]1CCCN(C(=O)c2cnn(Cc3ccccc3)c2)C1
InChIInChI=1S/C17H21N3O/c1-14-6-5-9-19(11-14)17(21)16-10-18-20(13-16)12-15-7-3-2-4-8-15/h2-4,7-8,10,13-14H,5-6,9,11-12H2,1H3/t14-/m0/s1
InChIKeyFCNGYMUXSRCRAQ-AWEZNQCLSA-N
XLogP2.80
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489971
[3-[benzyl(methyl)amino]piperidin-1-yl]-(1-benzylpyrazol-4-yl)methanone
CID 45220798
[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 35323177
(1-benzylpyrazol-4-yl)-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 51937170
[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 45147653
[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 46564681
(1-benzylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119636679
(1-benzylpyrazol-4-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99698614
[1-(1-benzylpyrazole-4-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 45211487
(1-benzylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649968
[3-(benzylamino)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 71913212
(1-benzylpyrazol-4-yl)-[(3S)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97126462

Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrazol-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of (1-benzylpyrazol-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone (CID 35763357) is (1-benzylpyrazol-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (1-benzylpyrazol-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for (1-benzylpyrazol-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone is C[C@H]1CCCN(C(=O)c2cnn(Cc3ccccc3)c2)C1.
What is the InChIKey of (1-benzylpyrazol-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone?
The InChIKey is FCNGYMUXSRCRAQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N3O/c1-14-6-5-9-19(11-14)17(21)16-10-18-20(13-16)12-15-7-3-2-4-8-15/h2-4,7-8,10,13-14H,5-6,9,11-12H2,1H3/t14-/m0/s1.
What are the key properties of (1-benzylpyrazol-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone?
(1-benzylpyrazol-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone has a molecular weight of 283.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrazol-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 35763357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).