N-(2-ethoxypropyl)-1H-pyrazole-4-carboxamide

C9H15N3O2 — CID 115649315

IUPACN-(2-ethoxypropyl)-1H-pyrazole-4-carboxamide
SMILESCCOC(C)CNC(=O)c1cn[nH]c1
InChIInChI=1S/C9H15N3O2/c1-3-14-7(2)4-10-9(13)8-5-11-12-6-8/h5-7H,3-4H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyZTSKLMCQGLTZQP-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.56
Rot. Bonds5

About N-(2-ethoxypropyl)-1H-pyrazole-4-carboxamide

N-(2-ethoxypropyl)-1H-pyrazole-4-carboxamide (PubChem CID 115649315) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-(2-ethoxypropyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxypropyl)-1H-pyrazole-4-carboxamide
PubChem CID115649315
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-(2-ethoxypropyl)-1H-pyrazole-4-carboxamide
SMILESCCOC(C)CNC(=O)c1cn[nH]c1
InChIInChI=1S/C9H15N3O2/c1-3-14-7(2)4-10-9(13)8-5-11-12-6-8/h5-7H,3-4H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyZTSKLMCQGLTZQP-UHFFFAOYSA-N
XLogP0.56
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
CID 115302661
N-(2-cyanopropyl)-1H-pyrazole-4-carboxamide
CID 62651511
N-(2-amino-3-ethylpentyl)-1H-pyrazole-4-carboxamide
CID 106285778
N-(3-aminobutyl)-1H-pyrazole-4-carboxamide
CID 63253393
2-chloro-N-(2-ethoxypropyl)-6-(methylamino)pyridine-4-carboxamide
CID 115649303
N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 20785130
2-chloro-N-(2-ethoxypropyl)-6-ethylpyridine-4-carboxamide
CID 113477234
N-(methoxymethyl)-1H-pyrazole-4-carboxamide
CID 154047785
N-methyl-1H-pyrazole-4-carboxamide;propane
CID 155700970
2-methyl-4-(1H-pyrazole-4-carbonylamino)butanoic acid
CID 80538314
2-chloro-N-(2-ethoxypropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113477235
4-(2-aminoethyl)-N-(2-ethoxypropyl)benzamide
CID 113477422

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypropyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-ethoxypropyl)-1H-pyrazole-4-carboxamide (CID 115649315) is N-(2-ethoxypropyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-ethoxypropyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-ethoxypropyl)-1H-pyrazole-4-carboxamide is CCOC(C)CNC(=O)c1cn[nH]c1.
What is the InChIKey of N-(2-ethoxypropyl)-1H-pyrazole-4-carboxamide?
The InChIKey is ZTSKLMCQGLTZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-14-7(2)4-10-9(13)8-5-11-12-6-8/h5-7H,3-4H2,1-2H3,(H,10,13)(H,11,12).
What are the key properties of N-(2-ethoxypropyl)-1H-pyrazole-4-carboxamide?
N-(2-ethoxypropyl)-1H-pyrazole-4-carboxamide has a molecular weight of 197.24 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypropyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 115649315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).