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

C19H25N3O3 — CID 86909424

IUPAC1-benzyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide
SMILESO=C(NCCCOCC1CCCO1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H25N3O3/c23-19(20-9-5-10-24-15-18-8-4-11-25-18)17-12-21-22(14-17)13-16-6-2-1-3-7-16/h1-3,6-7,12,14,18H,4-5,8-11,13,15H2,(H,20,23)
InChIKeyAAXORVPSSJQGHJ-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.25
Rot. Bonds9

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

1-benzyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide (PubChem CID 86909424) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-benzyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide
PubChem CID86909424
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-benzyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide
SMILESO=C(NCCCOCC1CCCO1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H25N3O3/c23-19(20-9-5-10-24-15-18-8-4-11-25-18)17-12-21-22(14-17)13-16-6-2-1-3-7-16/h1-3,6-7,12,14,18H,4-5,8-11,13,15H2,(H,20,23)
InChIKeyAAXORVPSSJQGHJ-UHFFFAOYSA-N
XLogP2.25
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.25
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-[(1-benzylpyrazol-4-yl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]urea
CID 87002771
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
1-benzyl-5-ethyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide
CID 78872899
1-[(2-chlorophenyl)methyl]-N-[3-(cyclopropylmethoxy)propyl]pyrazole-4-carboxamide
CID 18132255
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61276101
1-benzyl-N-cyclohexylpyrazole-4-carboxamide
CID 40710526
7-[(1-benzylpyrazole-4-carbonyl)amino]heptanoic acid
CID 71943614
1-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 18160340
5-benzyl-2-hydroxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 56503491
2-(3-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 65350539
3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000506
2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]-2-phenylacetamide
CID 61251530

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide (CID 86909424) is 1-benzyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide is O=C(NCCCOCC1CCCO1)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide?
The InChIKey is AAXORVPSSJQGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-19(20-9-5-10-24-15-18-8-4-11-25-18)17-12-21-22(14-17)13-16-6-2-1-3-7-16/h1-3,6-7,12,14,18H,4-5,8-11,13,15H2,(H,20,23).
What are the key properties of 1-benzyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide?
1-benzyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide is sourced from PubChem (CID 86909424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).