2-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide

C12H21N3O2 — CID 19475507

IUPAC2-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NCCCOC(C)C
InChIInChI=1S/C12H21N3O2/c1-4-15-11(6-8-14-15)12(16)13-7-5-9-17-10(2)3/h6,8,10H,4-5,7,9H2,1-3H3,(H,13,16)
InChIKeyKFTAOANJCYJWSX-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.45
Rot. Bonds7

About 2-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide

2-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide (PubChem CID 19475507) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide
PubChem CID19475507
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NCCCOC(C)C
InChIInChI=1S/C12H21N3O2/c1-4-15-11(6-8-14-15)12(16)13-7-5-9-17-10(2)3/h6,8,10H,4-5,7,9H2,1-3H3,(H,13,16)
InChIKeyKFTAOANJCYJWSX-UHFFFAOYSA-N
XLogP1.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-[3-(N-methylanilino)propyl]pyrazole-3-carboxamide
CID 77084137
N-[1-(ethoxymethyl)pyrazol-4-yl]-2-ethylpyrazole-3-carboxamide
CID 19475516
N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide
CID 19475749
3,6-dichloro-N-(3-propan-2-yloxypropyl)pyridine-2-carboxamide
CID 60690676
3-bromo-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide
CID 114078850
4-amino-1-methyl-N-(4-propan-2-yloxybutyl)pyrrole-2-carboxamide
CID 106006234
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
N-(cyclohexylmethyl)-2-ethylpyrazole-3-carboxamide
CID 155036093
4-bromo-N-(4-propan-2-yloxybutyl)-1-propylpyrrole-2-carboxamide
CID 106012274
2-ethoxy-1-(2-ethylpyrazol-3-yl)propan-1-one
CID 64540904
2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19475319
2-ethyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide
CID 102548374

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide (CID 19475507) is 2-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide is CCn1nccc1C(=O)NCCCOC(C)C.
What is the InChIKey of 2-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide?
The InChIKey is KFTAOANJCYJWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-15-11(6-8-14-15)12(16)13-7-5-9-17-10(2)3/h6,8,10H,4-5,7,9H2,1-3H3,(H,13,16).
What are the key properties of 2-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide?
2-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19475507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).