(4-amino-5-ethyl-1H-pyrazol-3-yl)-(4-methylazepan-1-yl)methanone

C13H22N4O — CID 63624225

IUPAC(4-amino-5-ethyl-1H-pyrazol-3-yl)-(4-methylazepan-1-yl)methanone
SMILESCCc1[nH]nc(C(=O)N2CCCC(C)CC2)c1N
InChIInChI=1S/C13H22N4O/c1-3-10-11(14)12(16-15-10)13(18)17-7-4-5-9(2)6-8-17/h9H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyVXSXXVPCQBFOFP-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.82
Rot. Bonds2

About (4-amino-5-ethyl-1H-pyrazol-3-yl)-(4-methylazepan-1-yl)methanone

(4-amino-5-ethyl-1H-pyrazol-3-yl)-(4-methylazepan-1-yl)methanone (PubChem CID 63624225) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (4-amino-5-ethyl-1H-pyrazol-3-yl)-(4-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-ethyl-1H-pyrazol-3-yl)-(4-methylazepan-1-yl)methanone
PubChem CID63624225
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(4-amino-5-ethyl-1H-pyrazol-3-yl)-(4-methylazepan-1-yl)methanone
SMILESCCc1[nH]nc(C(=O)N2CCCC(C)CC2)c1N
InChIInChI=1S/C13H22N4O/c1-3-10-11(14)12(16-15-10)13(18)17-7-4-5-9(2)6-8-17/h9H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyVXSXXVPCQBFOFP-UHFFFAOYSA-N
XLogP1.82
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-5-ethyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 62081266
(4-amino-5-ethyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
CID 55211374
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(azocan-1-yl)methanone
CID 62082506
(4-amino-5-ethyl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62083228
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114677537
methyl 1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate
CID 115533013
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone
CID 62081826
(4-amino-5-ethyl-1H-pyrazol-3-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796732
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(2-methylmorpholin-4-yl)methanone
CID 55033901
1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxamide
CID 62082683
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 55034216
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 79940364

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-ethyl-1H-pyrazol-3-yl)-(4-methylazepan-1-yl)methanone?
The IUPAC name of (4-amino-5-ethyl-1H-pyrazol-3-yl)-(4-methylazepan-1-yl)methanone (CID 63624225) is (4-amino-5-ethyl-1H-pyrazol-3-yl)-(4-methylazepan-1-yl)methanone.
What is the SMILES notation for (4-amino-5-ethyl-1H-pyrazol-3-yl)-(4-methylazepan-1-yl)methanone?
The canonical SMILES for (4-amino-5-ethyl-1H-pyrazol-3-yl)-(4-methylazepan-1-yl)methanone is CCc1[nH]nc(C(=O)N2CCCC(C)CC2)c1N.
What is the InChIKey of (4-amino-5-ethyl-1H-pyrazol-3-yl)-(4-methylazepan-1-yl)methanone?
The InChIKey is VXSXXVPCQBFOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-10-11(14)12(16-15-10)13(18)17-7-4-5-9(2)6-8-17/h9H,3-8,14H2,1-2H3,(H,15,16).
What are the key properties of (4-amino-5-ethyl-1H-pyrazol-3-yl)-(4-methylazepan-1-yl)methanone?
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(4-methylazepan-1-yl)methanone has a molecular weight of 250.35 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-ethyl-1H-pyrazol-3-yl)-(4-methylazepan-1-yl)methanone is sourced from PubChem (CID 63624225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).