(5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone

C14H23N3O — CID 110856017

IUPAC(5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cc(C(C)(C)C)[nH]n2)C1
InChIInChI=1S/C14H23N3O/c1-10-6-5-7-17(9-10)13(18)11-8-12(16-15-11)14(2,3)4/h8,10H,5-7,9H2,1-4H3,(H,15,16)
InChIKeyFOMUUYKDNRVRAD-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.58
Rot. Bonds1

About (5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone

(5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 110856017) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone
PubChem CID110856017
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cc(C(C)(C)C)[nH]n2)C1
InChIInChI=1S/C14H23N3O/c1-10-6-5-7-17(9-10)13(18)11-8-12(16-15-11)14(2,3)4/h8,10H,5-7,9H2,1-4H3,(H,15,16)
InChIKeyFOMUUYKDNRVRAD-UHFFFAOYSA-N
XLogP2.58
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-tert-butyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
CID 110848778
(5-tert-butyl-1H-pyrazol-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 166216883
(5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 119580078
(5-tert-butyl-1H-pyrazol-3-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95312993
[(3S)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone
CID 16671792
6-[(3R)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125005483
(5-tert-butyl-1H-pyrazol-3-yl)-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124946318
[3-(aminomethyl)pyrrolidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone
CID 119486615
2-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-2,3-dihydrochromen-4-one
CID 110236924
(2S)-2-[(3R)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-2,3-dihydrochromen-4-one
CID 95855971
(5-tert-butyl-1H-pyrazol-3-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99609321
(5-tert-butyl-1H-pyrazol-3-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124939617

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone (CID 110856017) is (5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2cc(C(C)(C)C)[nH]n2)C1.
What is the InChIKey of (5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is FOMUUYKDNRVRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-6-5-7-17(9-10)13(18)11-8-12(16-15-11)14(2,3)4/h8,10H,5-7,9H2,1-4H3,(H,15,16).
What are the key properties of (5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone?
(5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 249.36 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110856017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).