(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-propylazepan-1-yl)methanone

C16H28N4O — CID 66124295

IUPAC(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-propylazepan-1-yl)methanone
SMILESCCCC1CCCN(C(=O)c2c(N)c(C)nn2CC)CC1
InChIInChI=1S/C16H28N4O/c1-4-7-13-8-6-10-19(11-9-13)16(21)15-14(17)12(3)18-20(15)5-2/h13H,4-11,17H2,1-3H3
InChIKeyNXNLQXBTUBUOBF-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.84
Rot. Bonds4

About (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-propylazepan-1-yl)methanone

(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-propylazepan-1-yl)methanone (PubChem CID 66124295) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-propylazepan-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-propylazepan-1-yl)methanone
PubChem CID66124295
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-propylazepan-1-yl)methanone
SMILESCCCC1CCCN(C(=O)c2c(N)c(C)nn2CC)CC1
InChIInChI=1S/C16H28N4O/c1-4-7-13-8-6-10-19(11-9-13)16(21)15-14(17)12(3)18-20(15)5-2/h13H,4-11,17H2,1-3H3
InChIKeyNXNLQXBTUBUOBF-UHFFFAOYSA-N
XLogP2.84
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 66123272
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 66124677
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 66125786
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone
CID 66123498
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112623813
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210010
3-methyl-1-propyl-5-(4-propylazepan-1-yl)pyrazol-4-amine
CID 66029991
(4-amino-1,3-dimethylpyrazol-5-yl)-(4-methylazepan-1-yl)methanone
CID 66125758
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[(4R)-4-propylazepan-1-yl]ethanone
CID 94823059
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81458950
4-amino-N-cyclobutyl-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66124672
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 66124659

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-propylazepan-1-yl)methanone?
The IUPAC name of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-propylazepan-1-yl)methanone (CID 66124295) is (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-propylazepan-1-yl)methanone.
What is the SMILES notation for (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-propylazepan-1-yl)methanone?
The canonical SMILES for (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-propylazepan-1-yl)methanone is CCCC1CCCN(C(=O)c2c(N)c(C)nn2CC)CC1.
What is the InChIKey of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-propylazepan-1-yl)methanone?
The InChIKey is NXNLQXBTUBUOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-7-13-8-6-10-19(11-9-13)16(21)15-14(17)12(3)18-20(15)5-2/h13H,4-11,17H2,1-3H3.
What are the key properties of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-propylazepan-1-yl)methanone?
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-propylazepan-1-yl)methanone has a molecular weight of 292.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-propylazepan-1-yl)methanone is sourced from PubChem (CID 66124295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).