2-(3-amino-5-pentyl-1H-pyrazol-4-yl)-N,N-diethylacetamide

C14H26N4O — CID 69009830

IUPAC2-(3-amino-5-pentyl-1H-pyrazol-4-yl)-N,N-diethylacetamide
SMILESCCCCCc1[nH]nc(N)c1CC(=O)N(CC)CC
InChIInChI=1S/C14H26N4O/c1-4-7-8-9-12-11(14(15)17-16-12)10-13(19)18(5-2)6-3/h4-10H2,1-3H3,(H3,15,16,17)
InChIKeyFZCMMFMIENHBEX-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.14
Rot. Bonds8

About 2-(3-amino-5-pentyl-1H-pyrazol-4-yl)-N,N-diethylacetamide

2-(3-amino-5-pentyl-1H-pyrazol-4-yl)-N,N-diethylacetamide (PubChem CID 69009830) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-(3-amino-5-pentyl-1H-pyrazol-4-yl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(3-amino-5-pentyl-1H-pyrazol-4-yl)-N,N-diethylacetamide
PubChem CID69009830
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-(3-amino-5-pentyl-1H-pyrazol-4-yl)-N,N-diethylacetamide
SMILESCCCCCc1[nH]nc(N)c1CC(=O)N(CC)CC
InChIInChI=1S/C14H26N4O/c1-4-7-8-9-12-11(14(15)17-16-12)10-13(19)18(5-2)6-3/h4-10H2,1-3H3,(H3,15,16,17)
InChIKeyFZCMMFMIENHBEX-UHFFFAOYSA-N
XLogP2.14
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-pentyl-4-propyl-1H-pyrazol-3-amine
CID 79405601
5-butyl-4-ethyl-1H-pyrazol-3-amine
CID 43670647
3,4,5-trioctyl-1H-pyrazole
CID 139676561
3,4,5-trihexyl-1H-pyrazole
CID 139676560
5-pentyl-4-(trifluoromethyl)-1H-pyrazol-3-amine
CID 70433505
4-pentyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 70630474
4-amino-N,N-diethyl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075271
N-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide
CID 61448255
4-fluoro-5-nonyl-1H-pyrazole-3-carboxylic acid
CID 68851725
5-hexyl-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 114752939
2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1,1-diethylguanidine
CID 111823349
4-amino-N,N-dibutyl-5-ethyl-1H-pyrazole-3-carboxamide
CID 62080934

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-pentyl-1H-pyrazol-4-yl)-N,N-diethylacetamide?
The IUPAC name of 2-(3-amino-5-pentyl-1H-pyrazol-4-yl)-N,N-diethylacetamide (CID 69009830) is 2-(3-amino-5-pentyl-1H-pyrazol-4-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(3-amino-5-pentyl-1H-pyrazol-4-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-(3-amino-5-pentyl-1H-pyrazol-4-yl)-N,N-diethylacetamide is CCCCCc1[nH]nc(N)c1CC(=O)N(CC)CC.
What is the InChIKey of 2-(3-amino-5-pentyl-1H-pyrazol-4-yl)-N,N-diethylacetamide?
The InChIKey is FZCMMFMIENHBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-7-8-9-12-11(14(15)17-16-12)10-13(19)18(5-2)6-3/h4-10H2,1-3H3,(H3,15,16,17).
What are the key properties of 2-(3-amino-5-pentyl-1H-pyrazol-4-yl)-N,N-diethylacetamide?
2-(3-amino-5-pentyl-1H-pyrazol-4-yl)-N,N-diethylacetamide has a molecular weight of 266.39 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-pentyl-1H-pyrazol-4-yl)-N,N-diethylacetamide is sourced from PubChem (CID 69009830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).