(3-aminopiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone

C20H22N4O2 — CID 119379648

IUPAC(3-aminopiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCCC(N)C2)o1
InChIInChI=1S/C20H22N4O2/c1-14-9-10-18(26-14)19-17(20(25)23-11-5-6-15(21)12-23)13-24(22-19)16-7-3-2-4-8-16/h2-4,7-10,13,15H,5-6,11-12,21H2,1H3
InChIKeyMCSANCLZBFNUPY-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.00
Rot. Bonds3

About (3-aminopiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone

(3-aminopiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone (PubChem CID 119379648) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone
PubChem CID119379648
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name(3-aminopiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCCC(N)C2)o1
InChIInChI=1S/C20H22N4O2/c1-14-9-10-18(26-14)19-17(20(25)23-11-5-6-15(21)12-23)13-24(22-19)16-7-3-2-4-8-16/h2-4,7-10,13,15H,5-6,11-12,21H2,1H3
InChIKeyMCSANCLZBFNUPY-UHFFFAOYSA-N
XLogP3.00
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone
CID 35810069
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone
CID 120816910
(2-hydroxyphenyl)-[4-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone
CID 55849955
[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
CID 29202076
4-hydroxy-1-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119251441
[(3R)-3-aminopyrrolidin-1-yl]-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methanone;hydrochloride
CID 119412111
3-(5-methylfuran-2-yl)-1-phenyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide
CID 55803900
(1,3-diphenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119538902
[(3R)-3-aminopiperidin-1-yl]-[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methanone
CID 124594316
3-(5-methylfuran-2-yl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 126775523
[3-(methylaminomethyl)piperidin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone;dihydrochloride
CID 119394788
2-(3-aminopiperidine-1-carbonyl)benzoic acid
CID 61403703

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone (CID 119379648) is (3-aminopiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCCC(N)C2)o1.
What is the InChIKey of (3-aminopiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone?
The InChIKey is MCSANCLZBFNUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-9-10-18(26-14)19-17(20(25)23-11-5-6-15(21)12-23)13-24(22-19)16-7-3-2-4-8-16/h2-4,7-10,13,15H,5-6,11-12,21H2,1H3.
What are the key properties of (3-aminopiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone?
(3-aminopiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone has a molecular weight of 350.42 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone is sourced from PubChem (CID 119379648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).