2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(2-methylpropyl)acetamide

C14H26N4O — CID 43647788

IUPAC2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(2-methylpropyl)acetamide
SMILESCCNCc1c(C)nn(CC(=O)NCC(C)C)c1C
InChIInChI=1S/C14H26N4O/c1-6-15-8-13-11(4)17-18(12(13)5)9-14(19)16-7-10(2)3/h10,15H,6-9H2,1-5H3,(H,16,19)
InChIKeyQXWGLRCXHSLFGW-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.38
Rot. Bonds7

About 2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(2-methylpropyl)acetamide

2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(2-methylpropyl)acetamide (PubChem CID 43647788) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(2-methylpropyl)acetamide
PubChem CID43647788
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(2-methylpropyl)acetamide
SMILESCCNCc1c(C)nn(CC(=O)NCC(C)C)c1C
InChIInChI=1S/C14H26N4O/c1-6-15-8-13-11(4)17-18(12(13)5)9-14(19)16-7-10(2)3/h10,15H,6-9H2,1-5H3,(H,16,19)
InChIKeyQXWGLRCXHSLFGW-UHFFFAOYSA-N
XLogP1.38
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]acetate
CID 66400895
2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-N-ethylacetamide
CID 43647675
2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 43647774
N-ethyl-2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 66401288
N-[[3,5-dimethyl-1-(2-methylidenebutyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66040224
N-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79185975
2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone
CID 43647773
3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]-N-propan-2-ylpropanamide
CID 66401282
N-(cyclopropylmethyl)-2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]acetamide
CID 43647907
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(3-methylbutyl)acetamide
CID 54957515
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)acetamide
CID 43498545
2-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]-4-methylpentanoic acid
CID 122127650

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(2-methylpropyl)acetamide (CID 43647788) is 2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(2-methylpropyl)acetamide is CCNCc1c(C)nn(CC(=O)NCC(C)C)c1C.
What is the InChIKey of 2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is QXWGLRCXHSLFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-6-15-8-13-11(4)17-18(12(13)5)9-14(19)16-7-10(2)3/h10,15H,6-9H2,1-5H3,(H,16,19).
What are the key properties of 2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(2-methylpropyl)acetamide?
2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 266.39 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 43647788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).