(4-amino-3,3-dimethylpiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone

C22H26N4O2 — CID 120816910

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC(N)C(C)(C)C2)o1
InChIInChI=1S/C22H26N4O2/c1-15-9-10-18(28-15)20-17(13-26(24-20)16-7-5-4-6-8-16)21(27)25-12-11-19(23)22(2,3)14-25/h4-10,13,19H,11-12,14,23H2,1-3H3
InChIKeyRFVJLSRVPXUKBS-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.64
Rot. Bonds3

About (4-amino-3,3-dimethylpiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone (PubChem CID 120816910) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone
PubChem CID120816910
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC(N)C(C)(C)C2)o1
InChIInChI=1S/C22H26N4O2/c1-15-9-10-18(28-15)20-17(13-26(24-20)16-7-5-4-6-8-16)21(27)25-12-11-19(23)22(2,3)14-25/h4-10,13,19H,11-12,14,23H2,1-3H3
InChIKeyRFVJLSRVPXUKBS-UHFFFAOYSA-N
XLogP3.64
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-amino-3,3-dimethylpiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone with MolForge

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Related Compounds

(3-aminopiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone
CID 119379648
azepan-1-yl-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone
CID 35810069
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 120819044
(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
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 120816830
3-(5-methylfuran-2-yl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 126775523
(4-amino-3,3-dimethylpiperidin-1-yl)-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 120814689
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]methanone;hydrochloride
CID 120814915
N-(2-amino-1-cyclopropylethyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119615448
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 120815344

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone (CID 120816910) is (4-amino-3,3-dimethylpiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC(N)C(C)(C)C2)o1.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone?
The InChIKey is RFVJLSRVPXUKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15-9-10-18(28-15)20-17(13-26(24-20)16-7-5-4-6-8-16)21(27)25-12-11-19(23)22(2,3)14-25/h4-10,13,19H,11-12,14,23H2,1-3H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone has a molecular weight of 378.48 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone is sourced from PubChem (CID 120816910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).