N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide

C11H19N3O2 — CID 43582844

IUPACN-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide
SMILESCC(C)COCCCNC(=O)c1cn[nH]c1
InChIInChI=1S/C11H19N3O2/c1-9(2)8-16-5-3-4-12-11(15)10-6-13-14-7-10/h6-7,9H,3-5,8H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyCPSXDRKHSICQNC-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.20
Rot. Bonds7

About N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide

N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide (PubChem CID 43582844) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide
PubChem CID43582844
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide
SMILESCC(C)COCCCNC(=O)c1cn[nH]c1
InChIInChI=1S/C11H19N3O2/c1-9(2)8-16-5-3-4-12-11(15)10-6-13-14-7-10/h6-7,9H,3-5,8H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyCPSXDRKHSICQNC-UHFFFAOYSA-N
XLogP1.20
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.20
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-[3-(2-methylpropoxy)propyl]-2H-triazole-4-carboxamide
CID 47338201
N-(5-chloro-4-methylpentyl)-1H-pyrazole-4-carboxamide
CID 106156781
5-chloro-6-hydrazinyl-N-[3-(2-methylpropoxy)propyl]pyridine-3-carboxamide
CID 114098385
N-(3-aminobutyl)-1H-pyrazole-4-carboxamide
CID 63253393
4-amino-3,5-dichloro-N-[3-(2-methylpropoxy)propyl]benzamide
CID 82787820
2-methyl-4-(1H-pyrazole-4-carbonylamino)butanoic acid
CID 80538314
N-(3-methylsulfonylpropyl)-1H-pyrazole-4-carboxamide
CID 61037227
N-(3-bromo-4-methoxybutyl)-1H-pyrazole-4-carboxamide
CID 106244861
N-[3-(2-methylpropoxy)propyl]-4-sulfamoylbenzamide
CID 103606595
5-iodo-N-[3-(2-methylpropoxy)propyl]thiophene-3-carboxamide
CID 78949637
N-(6-chlorohexyl)-1H-pyrazole-4-carboxamide
CID 107846522
N-(6-aminohexyl)-1H-pyrazole-4-carboxamide
CID 107843778

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide (CID 43582844) is N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide is CC(C)COCCCNC(=O)c1cn[nH]c1.
What is the InChIKey of N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide?
The InChIKey is CPSXDRKHSICQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9(2)8-16-5-3-4-12-11(15)10-6-13-14-7-10/h6-7,9H,3-5,8H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide?
N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).