N-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide

C13H21N3O — CID 82700538

IUPACN-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide
SMILESCCc1cc(CC)n(CC(=O)N(C)C2CC2)n1
InChIInChI=1S/C13H21N3O/c1-4-10-8-11(5-2)16(14-10)9-13(17)15(3)12-6-7-12/h8,12H,4-7,9H2,1-3H3
InChIKeyJMXLDNMQSVAQAE-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.63
Rot. Bonds5

About N-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide

N-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide (PubChem CID 82700538) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide
PubChem CID82700538
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide
SMILESCCc1cc(CC)n(CC(=O)N(C)C2CC2)n1
InChIInChI=1S/C13H21N3O/c1-4-10-8-11(5-2)16(14-10)9-13(17)15(3)12-6-7-12/h8,12H,4-7,9H2,1-3H3
InChIKeyJMXLDNMQSVAQAE-UHFFFAOYSA-N
XLogP1.63
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-diethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 82698622
N-(3-amino-3-sulfanylidenepropyl)-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide
CID 82693033
N-cyclopropyl-N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 115774420
(E)-4-(3,5-diethylpyrazol-1-yl)-3-methylbut-2-enoic acid
CID 82692446
2-(3,5-diethylpyrazol-1-yl)-1-piperazin-1-ylethanone
CID 82694012
N-cyclopropyl-N-methyl-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide
CID 63253924
2-(3,5-diethylpyrazol-1-yl)ethanimidamide
CID 82695399
tert-butyl N-[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl]-N-[[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl]amino]carbamate
CID 67380246
2-(3,5-diethylpyrazol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 82698784
N-(2-aminoethyl)-2-(3,5-diethylpyrazol-1-yl)acetamide
CID 82693464
2-(3,5-diethylpyrazol-1-yl)-N-prop-2-ynylacetamide
CID 82694483
2-(6-aminoindazol-1-yl)-N-cyclopropyl-N-methylacetamide
CID 54957294

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide (CID 82700538) is N-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide is CCc1cc(CC)n(CC(=O)N(C)C2CC2)n1.
What is the InChIKey of N-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide?
The InChIKey is JMXLDNMQSVAQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-10-8-11(5-2)16(14-10)9-13(17)15(3)12-6-7-12/h8,12H,4-7,9H2,1-3H3.
What are the key properties of N-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide?
N-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide has a molecular weight of 235.33 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide is sourced from PubChem (CID 82700538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).