N-benzyl-N-ethyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide

C17H23N3O — CID 110681550

IUPACN-benzyl-N-ethyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(C)n(C(C)C)n1
InChIInChI=1S/C17H23N3O/c1-5-19(12-15-9-7-6-8-10-15)17(21)16-11-14(4)20(18-16)13(2)3/h6-11,13H,5,12H2,1-4H3
InChIKeyQSHJMHBCOIBMIC-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.43
Rot. Bonds5

About N-benzyl-N-ethyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide

N-benzyl-N-ethyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide (PubChem CID 110681550) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-benzyl-N-ethyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide
PubChem CID110681550
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-benzyl-N-ethyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(C)n(C(C)C)n1
InChIInChI=1S/C17H23N3O/c1-5-19(12-15-9-7-6-8-10-15)17(21)16-11-14(4)20(18-16)13(2)3/h6-11,13H,5,12H2,1-4H3
InChIKeyQSHJMHBCOIBMIC-UHFFFAOYSA-N
XLogP3.43
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-6-(butan-2-ylamino)-N-ethyl-2-methylpyrimidine-4-carboxamide
CID 109362341
5-amino-N-benzyl-1-tert-butyl-N-ethylpyrazole-3-carboxamide
CID 82188785
N-benzyl-N-ethyl-2-methyltriazole-4-carboxamide
CID 110691383
N-benzyl-6-(butan-2-ylamino)-N-ethylpyrimidine-4-carboxamide
CID 109340603
2-[benzyl-(1-tert-butyl-5-methylpyrazole-3-carbonyl)amino]acetic acid
CID 100635915
2-[benzyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
CID 75513335
N-benzyl-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536729
N-benzyl-6-chloro-N-ethylpyridazine-3-carboxamide
CID 60859356
N-benzyl-N-ethyl-1,3-dimethylpyrazole-4-carboxamide
CID 45285247
N-benzyl-N-ethyl-6-hydrazinylpyridazine-3-carboxamide
CID 62243834
N-benzyl-1-(3,4-dimethylphenyl)-N-ethyltriazole-4-carboxamide
CID 30850404
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide (CID 110681550) is N-benzyl-N-ethyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide is CCN(Cc1ccccc1)C(=O)c1cc(C)n(C(C)C)n1.
What is the InChIKey of N-benzyl-N-ethyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is QSHJMHBCOIBMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-19(12-15-9-7-6-8-10-15)17(21)16-11-14(4)20(18-16)13(2)3/h6-11,13H,5,12H2,1-4H3.
What are the key properties of N-benzyl-N-ethyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide?
N-benzyl-N-ethyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 110681550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).