N-[1-(1-ethylpyrazol-4-yl)ethyl]-4-methyloxane-4-carboxamide

C14H23N3O2 — CID 138017239

IUPACN-[1-(1-ethylpyrazol-4-yl)ethyl]-4-methyloxane-4-carboxamide
SMILESCCn1cc(C(C)NC(=O)C2(C)CCOCC2)cn1
InChIInChI=1S/C14H23N3O2/c1-4-17-10-12(9-15-17)11(2)16-13(18)14(3)5-7-19-8-6-14/h9-11H,4-8H2,1-3H3,(H,16,18)
InChIKeyHWPDKQWLKWXVIA-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.90
Rot. Bonds4

About N-[1-(1-ethylpyrazol-4-yl)ethyl]-4-methyloxane-4-carboxamide

N-[1-(1-ethylpyrazol-4-yl)ethyl]-4-methyloxane-4-carboxamide (PubChem CID 138017239) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[1-(1-ethylpyrazol-4-yl)ethyl]-4-methyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-ethylpyrazol-4-yl)ethyl]-4-methyloxane-4-carboxamide
PubChem CID138017239
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[1-(1-ethylpyrazol-4-yl)ethyl]-4-methyloxane-4-carboxamide
SMILESCCn1cc(C(C)NC(=O)C2(C)CCOCC2)cn1
InChIInChI=1S/C14H23N3O2/c1-4-17-10-12(9-15-17)11(2)16-13(18)14(3)5-7-19-8-6-14/h9-11H,4-8H2,1-3H3,(H,16,18)
InChIKeyHWPDKQWLKWXVIA-UHFFFAOYSA-N
XLogP1.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethoxyoxan-4-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 116765796
N-[(4-methyloxan-4-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 103903333
3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 119945380
1-[1-(1-ethylpyrazol-4-yl)ethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 65063880
1-(4-aminooxan-4-yl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 116604756
2-(1-methylcyclohexyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 97241002
methyl 3-(1-ethylpyrazol-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate
CID 170816587
1-amino-N-[1-(1-methylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119322404
2-(4-aminopyrazol-1-yl)-N-(4-methyloxan-4-yl)acetamide
CID 113490968
4-(1-ethylpyrazol-4-yl)-4-hydroxy-3-methylbutanoic acid
CID 103570340
3-[1-(1-ethylpyrazol-4-yl)ethylamino]butan-1-ol
CID 81338161
[(1-ethylpyrazol-4-yl)-(2-methyloxan-2-yl)methyl]hydrazine
CID 105256090

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpyrazol-4-yl)ethyl]-4-methyloxane-4-carboxamide?
The IUPAC name of N-[1-(1-ethylpyrazol-4-yl)ethyl]-4-methyloxane-4-carboxamide (CID 138017239) is N-[1-(1-ethylpyrazol-4-yl)ethyl]-4-methyloxane-4-carboxamide.
What is the SMILES notation for N-[1-(1-ethylpyrazol-4-yl)ethyl]-4-methyloxane-4-carboxamide?
The canonical SMILES for N-[1-(1-ethylpyrazol-4-yl)ethyl]-4-methyloxane-4-carboxamide is CCn1cc(C(C)NC(=O)C2(C)CCOCC2)cn1.
What is the InChIKey of N-[1-(1-ethylpyrazol-4-yl)ethyl]-4-methyloxane-4-carboxamide?
The InChIKey is HWPDKQWLKWXVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-17-10-12(9-15-17)11(2)16-13(18)14(3)5-7-19-8-6-14/h9-11H,4-8H2,1-3H3,(H,16,18).
What are the key properties of N-[1-(1-ethylpyrazol-4-yl)ethyl]-4-methyloxane-4-carboxamide?
N-[1-(1-ethylpyrazol-4-yl)ethyl]-4-methyloxane-4-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpyrazol-4-yl)ethyl]-4-methyloxane-4-carboxamide is sourced from PubChem (CID 138017239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).