N-(4-methyl-1H-pyrazol-5-yl)-3-propoxypropanamide

C10H17N3O2 — CID 104620175

IUPACN-(4-methyl-1H-pyrazol-5-yl)-3-propoxypropanamide
SMILESCCCOCCC(=O)Nc1[nH]ncc1C
InChIInChI=1S/C10H17N3O2/c1-3-5-15-6-4-9(14)12-10-8(2)7-11-13-10/h7H,3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyDHKXMXXQZPDXJE-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.47
Rot. Bonds6

About N-(4-methyl-1H-pyrazol-5-yl)-3-propoxypropanamide

N-(4-methyl-1H-pyrazol-5-yl)-3-propoxypropanamide (PubChem CID 104620175) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(4-methyl-1H-pyrazol-5-yl)-3-propoxypropanamide.

Molecular Properties

Compound NameN-(4-methyl-1H-pyrazol-5-yl)-3-propoxypropanamide
PubChem CID104620175
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-(4-methyl-1H-pyrazol-5-yl)-3-propoxypropanamide
SMILESCCCOCCC(=O)Nc1[nH]ncc1C
InChIInChI=1S/C10H17N3O2/c1-3-5-15-6-4-9(14)12-10-8(2)7-11-13-10/h7H,3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyDHKXMXXQZPDXJE-UHFFFAOYSA-N
XLogP1.47
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.47
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

N-(4-methyl-1H-pyrazol-5-yl)nonanamide
CID 112691253
4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)butanamide
CID 104621856
3-(4-methoxyphenoxy)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 115630345
2-(2-methoxyethoxy)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 115629929
4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)pentanamide
CID 104621851
ethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate
CID 115630334
3-(3-fluorophenoxy)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 112691171
6-amino-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)hexanamide
CID 104619007
N-(4-methyl-1H-pyrazol-5-yl)-3-pyridin-4-ylpropanamide
CID 112691455
2-(4-butylphenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 115630203
2-cyclopropyl-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 115629912
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-propoxypropanamide
CID 113433784

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1H-pyrazol-5-yl)-3-propoxypropanamide?
The IUPAC name of N-(4-methyl-1H-pyrazol-5-yl)-3-propoxypropanamide (CID 104620175) is N-(4-methyl-1H-pyrazol-5-yl)-3-propoxypropanamide.
What is the SMILES notation for N-(4-methyl-1H-pyrazol-5-yl)-3-propoxypropanamide?
The canonical SMILES for N-(4-methyl-1H-pyrazol-5-yl)-3-propoxypropanamide is CCCOCCC(=O)Nc1[nH]ncc1C.
What is the InChIKey of N-(4-methyl-1H-pyrazol-5-yl)-3-propoxypropanamide?
The InChIKey is DHKXMXXQZPDXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-5-15-6-4-9(14)12-10-8(2)7-11-13-10/h7H,3-6H2,1-2H3,(H2,11,12,13,14).
What are the key properties of N-(4-methyl-1H-pyrazol-5-yl)-3-propoxypropanamide?
N-(4-methyl-1H-pyrazol-5-yl)-3-propoxypropanamide has a molecular weight of 211.26 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1H-pyrazol-5-yl)-3-propoxypropanamide is sourced from PubChem (CID 104620175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).