(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-propan-2-ylpiperidin-1-yl)methanone

C15H26N4O — CID 103504933

IUPAC(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCCc1nn(C)c(C(=O)N2CCC(C(C)C)CC2)c1N
InChIInChI=1S/C15H26N4O/c1-5-12-13(16)14(18(4)17-12)15(20)19-8-6-11(7-9-19)10(2)3/h10-11H,5-9,16H2,1-4H3
InChIKeyDVSZMXHMWCXYRU-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.07
Rot. Bonds3

About (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-propan-2-ylpiperidin-1-yl)methanone

(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 103504933) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID103504933
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCCc1nn(C)c(C(=O)N2CCC(C(C)C)CC2)c1N
InChIInChI=1S/C15H26N4O/c1-5-12-13(16)14(18(4)17-12)15(20)19-8-6-11(7-9-19)10(2)3/h10-11H,5-9,16H2,1-4H3
InChIKeyDVSZMXHMWCXYRU-UHFFFAOYSA-N
XLogP2.07
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 66119062
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone
CID 66125702
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(1,4-thiazepan-4-yl)methanone
CID 66123388
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylmorpholin-4-yl)methanone
CID 66124511
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(3-methoxypiperidin-1-yl)methanone
CID 102955052
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104966894
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81205766
4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-2-one
CID 66124902
7-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095534
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 66116549
cyclopentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66117193
4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-3-ethylpiperazin-2-one
CID 66118459

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-propan-2-ylpiperidin-1-yl)methanone (CID 103504933) is (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-propan-2-ylpiperidin-1-yl)methanone is CCc1nn(C)c(C(=O)N2CCC(C(C)C)CC2)c1N.
What is the InChIKey of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is DVSZMXHMWCXYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-12-13(16)14(18(4)17-12)15(20)19-8-6-11(7-9-19)10(2)3/h10-11H,5-9,16H2,1-4H3.
What are the key properties of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-propan-2-ylpiperidin-1-yl)methanone?
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 278.40 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 103504933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).