4-methyl-N-[3-(1H-pyrazol-4-yl)propyl]-1,2,5-oxadiazole-3-carboxamide

C10H13N5O2 — CID 51596536

IUPAC4-methyl-N-[3-(1H-pyrazol-4-yl)propyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)NCCCc1cn[nH]c1
InChIInChI=1S/C10H13N5O2/c1-7-9(15-17-14-7)10(16)11-4-2-3-8-5-12-13-6-8/h5-6H,2-4H2,1H3,(H,11,16)(H,12,13)
InChIKeyWUAQNPRXNQHGCS-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.46
Rot. Bonds5

About 4-methyl-N-[3-(1H-pyrazol-4-yl)propyl]-1,2,5-oxadiazole-3-carboxamide

4-methyl-N-[3-(1H-pyrazol-4-yl)propyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 51596536) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 4-methyl-N-[3-(1H-pyrazol-4-yl)propyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(1H-pyrazol-4-yl)propyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID51596536
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name4-methyl-N-[3-(1H-pyrazol-4-yl)propyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)NCCCc1cn[nH]c1
InChIInChI=1S/C10H13N5O2/c1-7-9(15-17-14-7)10(16)11-4-2-3-8-5-12-13-6-8/h5-6H,2-4H2,1H3,(H,11,16)(H,12,13)
InChIKeyWUAQNPRXNQHGCS-UHFFFAOYSA-N
XLogP0.46
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyl-N-[3-(1H-pyrazol-4-yl)propyl]naphthalene-1-carboxamide
CID 166270067
2-chloro-N-[4-(1H-pyrazol-4-yl)butyl]acetamide
CID 146086063
N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
CID 126809556
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1H-pyrazole-4-carboxamide
CID 77094251
(Z)-3-cyclopropyl-2-fluoro-N-[3-(1H-pyrazol-4-yl)propyl]but-2-enamide
CID 138013209
N-[2-(2-fluorophenyl)ethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691877
3,5-dimethoxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide
CID 77093843
N-[(4-methoxyphenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691868
ethyl 4-(1H-pyrazole-4-carbonylamino)butanoate
CID 60788161
4-(3-methoxypropyl)-1H-pyrazole
CID 90951720
4-(aminomethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide;hydrochloride
CID 154901499
4-butyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60735788

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(1H-pyrazol-4-yl)propyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-methyl-N-[3-(1H-pyrazol-4-yl)propyl]-1,2,5-oxadiazole-3-carboxamide (CID 51596536) is 4-methyl-N-[3-(1H-pyrazol-4-yl)propyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(1H-pyrazol-4-yl)propyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(1H-pyrazol-4-yl)propyl]-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)NCCCc1cn[nH]c1.
What is the InChIKey of 4-methyl-N-[3-(1H-pyrazol-4-yl)propyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is WUAQNPRXNQHGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-7-9(15-17-14-7)10(16)11-4-2-3-8-5-12-13-6-8/h5-6H,2-4H2,1H3,(H,11,16)(H,12,13).
What are the key properties of 4-methyl-N-[3-(1H-pyrazol-4-yl)propyl]-1,2,5-oxadiazole-3-carboxamide?
4-methyl-N-[3-(1H-pyrazol-4-yl)propyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 235.25 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(1H-pyrazol-4-yl)propyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 51596536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).