N-benzyl-N-(1H-pyrazol-5-ylmethyl)oxirane-2-carboxamide

C14H15N3O2 — CID 154879911

IUPACN-benzyl-N-(1H-pyrazol-5-ylmethyl)oxirane-2-carboxamide
SMILESO=C(C1CO1)N(Cc1ccccc1)Cc1ccn[nH]1
InChIInChI=1S/C14H15N3O2/c18-14(13-10-19-13)17(9-12-6-7-15-16-12)8-11-4-2-1-3-5-11/h1-7,13H,8-10H2,(H,15,16)
InChIKeyGVOHANDPCZWVKW-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.34
Rot. Bonds5

About N-benzyl-N-(1H-pyrazol-5-ylmethyl)oxirane-2-carboxamide

N-benzyl-N-(1H-pyrazol-5-ylmethyl)oxirane-2-carboxamide (PubChem CID 154879911) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-benzyl-N-(1H-pyrazol-5-ylmethyl)oxirane-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(1H-pyrazol-5-ylmethyl)oxirane-2-carboxamide
PubChem CID154879911
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-benzyl-N-(1H-pyrazol-5-ylmethyl)oxirane-2-carboxamide
SMILESO=C(C1CO1)N(Cc1ccccc1)Cc1ccn[nH]1
InChIInChI=1S/C14H15N3O2/c18-14(13-10-19-13)17(9-12-6-7-15-16-12)8-11-4-2-1-3-5-11/h1-7,13H,8-10H2,(H,15,16)
InChIKeyGVOHANDPCZWVKW-UHFFFAOYSA-N
XLogP1.34
TPSA61.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-benzyl-2-methoxy-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 97061659
(2R)-N-benzyl-2-phenylmethoxy-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 95157473
N-benzyl-2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 167831282
N-benzyl-4,4,4-trifluoro-3-methoxy-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 166240629
1-benzyl-1-cyclohexyl-3-(1H-pyrazol-5-ylmethyl)urea
CID 167918665
N,N-dibenzylcyclohexanecarboxamide
CID 1371794
N,N,3-tribenzyloxirane-2-carboxamide
CID 134872311
N-benzyl-N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 18830920
N-methyl-2-oxo-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 45214416
N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698818
(2S)-N,N-dibenzyl-4-hydroxypyrrolidine-2-carboxamide
CID 59336257
N-benzyl-N-(2,2-difluoroethyl)morpholine-2-carboxamide;hydrochloride
CID 119807977

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1H-pyrazol-5-ylmethyl)oxirane-2-carboxamide?
The IUPAC name of N-benzyl-N-(1H-pyrazol-5-ylmethyl)oxirane-2-carboxamide (CID 154879911) is N-benzyl-N-(1H-pyrazol-5-ylmethyl)oxirane-2-carboxamide.
What is the SMILES notation for N-benzyl-N-(1H-pyrazol-5-ylmethyl)oxirane-2-carboxamide?
The canonical SMILES for N-benzyl-N-(1H-pyrazol-5-ylmethyl)oxirane-2-carboxamide is O=C(C1CO1)N(Cc1ccccc1)Cc1ccn[nH]1.
What is the InChIKey of N-benzyl-N-(1H-pyrazol-5-ylmethyl)oxirane-2-carboxamide?
The InChIKey is GVOHANDPCZWVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-14(13-10-19-13)17(9-12-6-7-15-16-12)8-11-4-2-1-3-5-11/h1-7,13H,8-10H2,(H,15,16).
What are the key properties of N-benzyl-N-(1H-pyrazol-5-ylmethyl)oxirane-2-carboxamide?
N-benzyl-N-(1H-pyrazol-5-ylmethyl)oxirane-2-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1H-pyrazol-5-ylmethyl)oxirane-2-carboxamide is sourced from PubChem (CID 154879911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).