(4-amino-3,3-dimethylpiperidin-1-yl)-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone

C19H26N4O3 — CID 120819018

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCC(N)C(C)(C)C3)[nH]n2)cc1OC
InChIInChI=1S/C19H26N4O3/c1-19(2)11-23(8-7-17(19)20)18(24)14-10-13(21-22-14)12-5-6-15(25-3)16(9-12)26-4/h5-6,9-10,17H,7-8,11,20H2,1-4H3,(H,21,22)
InChIKeyCLHXQVUULGAARW-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.29
Rot. Bonds4

About (4-amino-3,3-dimethylpiperidin-1-yl)-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 120819018) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone
PubChem CID120819018
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCC(N)C(C)(C)C3)[nH]n2)cc1OC
InChIInChI=1S/C19H26N4O3/c1-19(2)11-23(8-7-17(19)20)18(24)14-10-13(21-22-14)12-5-6-15(25-3)16(9-12)26-4/h5-6,9-10,17H,7-8,11,20H2,1-4H3,(H,21,22)
InChIKeyCLHXQVUULGAARW-UHFFFAOYSA-N
XLogP2.29
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354559
[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 70848755
[4-(4-chlorophenoxy)piperidin-1-yl]-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 166338976
[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492307
(4-aminopiperidin-1-yl)-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 66485063
(4-amino-3,3-dimethylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone;hydrochloride
CID 120818433
2-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-methoxyphenoxy]-N-methylacetamide
CID 120814212
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methoxynaphthalen-1-yl)methanone
CID 120814465
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 20864968
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 120813913
3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methoxybenzenesulfonamide
CID 120816046
3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-pyrazole-5-carboxylic acid
CID 117465686

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone (CID 120819018) is (4-amino-3,3-dimethylpiperidin-1-yl)-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone is COc1ccc(-c2cc(C(=O)N3CCC(N)C(C)(C)C3)[nH]n2)cc1OC.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is CLHXQVUULGAARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-19(2)11-23(8-7-17(19)20)18(24)14-10-13(21-22-14)12-5-6-15(25-3)16(9-12)26-4/h5-6,9-10,17H,7-8,11,20H2,1-4H3,(H,21,22).
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 358.44 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 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-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 120819018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).