1-benzyl-5-ethyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide

C21H29N3O3 — CID 78872899

IUPAC1-benzyl-5-ethyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCCOCC2CCCO2)cnn1Cc1ccccc1
InChIInChI=1S/C21H29N3O3/c1-2-20-19(14-23-24(20)15-17-8-4-3-5-9-17)21(25)22-11-7-12-26-16-18-10-6-13-27-18/h3-5,8-9,14,18H,2,6-7,10-13,15-16H2,1H3,(H,22,25)
InChIKeyKYXHGFAIEBLUNC-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.81
Rot. Bonds10

About 1-benzyl-5-ethyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide

1-benzyl-5-ethyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide (PubChem CID 78872899) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-benzyl-5-ethyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-ethyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide
PubChem CID78872899
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name1-benzyl-5-ethyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCCOCC2CCCO2)cnn1Cc1ccccc1
InChIInChI=1S/C21H29N3O3/c1-2-20-19(14-23-24(20)15-17-8-4-3-5-9-17)21(25)22-11-7-12-26-16-18-10-6-13-27-18/h3-5,8-9,14,18H,2,6-7,10-13,15-16H2,1H3,(H,22,25)
InChIKeyKYXHGFAIEBLUNC-UHFFFAOYSA-N
XLogP2.81
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-N-(3-ethoxypropyl)-5-ethylpyrazole-4-carboxamide
CID 78872514
1-benzyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide
CID 86909424
1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide
CID 78873047
1,5-dimethyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]pyrazole-4-carboxamide
CID 94179237
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
1-benzyl-5-ethyl-N'-(oxolane-2-carbonyl)pyrazole-4-carbohydrazide
CID 78873658
1-[(1-benzylpyrazol-4-yl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]urea
CID 87002771
1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide
CID 78874188
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61378454
1-benzyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 42818321
5-benzyl-2-hydroxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 56503491
N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1H-indazole-4-carboxamide
CID 95625533

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-ethyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide (CID 78872899) is 1-benzyl-5-ethyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-ethyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-ethyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide is CCc1c(C(=O)NCCCOCC2CCCO2)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-ethyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide?
The InChIKey is KYXHGFAIEBLUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-2-20-19(14-23-24(20)15-17-8-4-3-5-9-17)21(25)22-11-7-12-26-16-18-10-6-13-27-18/h3-5,8-9,14,18H,2,6-7,10-13,15-16H2,1H3,(H,22,25).
What are the key properties of 1-benzyl-5-ethyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide?
1-benzyl-5-ethyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 2.81, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide is sourced from PubChem (CID 78872899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).