N-(3-azidopropyl)-2-methylpyrazole-3-carboxamide

C8H12N6O — CID 61344724

IUPACN-(3-azidopropyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCCCN=[N+]=[N-]
InChIInChI=1S/C8H12N6O/c1-14-7(3-6-12-14)8(15)10-4-2-5-11-13-9/h3,6H,2,4-5H2,1H3,(H,10,15)
InChIKeyDHWFVKSTIOYJAN-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.85
Rot. Bonds5

About N-(3-azidopropyl)-2-methylpyrazole-3-carboxamide

N-(3-azidopropyl)-2-methylpyrazole-3-carboxamide (PubChem CID 61344724) has the molecular formula C8H12N6O and a molecular weight of 208.22 g/mol. Its IUPAC name is N-(3-azidopropyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-azidopropyl)-2-methylpyrazole-3-carboxamide
PubChem CID61344724
Molecular FormulaC8H12N6O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC NameN-(3-azidopropyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCCCN=[N+]=[N-]
InChIInChI=1S/C8H12N6O/c1-14-7(3-6-12-14)8(15)10-4-2-5-11-13-9/h3,6H,2,4-5H2,1H3,(H,10,15)
InChIKeyDHWFVKSTIOYJAN-UHFFFAOYSA-N
XLogP0.85
TPSA95.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloropropyl)-2-methylpyrazole-3-carboxamide
CID 17167946
N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide
CID 19475749
N-(4-bromopentyl)-2-methylpyrazole-3-carboxamide
CID 106130377
N-(5-hydroxy-4-methylpentyl)-2-methylpyrazole-3-carboxamide
CID 103862125
N-(3-azidopropyl)-1-methylimidazole-4-carboxamide
CID 107974564
2-methyl-N-[2-(4-methylphenyl)ethyl]pyrazole-3-carboxamide
CID 112528913
N-(3-azidopropyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61344561
N-(4-azidobutyl)-1,5-dimethylpyrazole-4-carboxamide
CID 106386535
2-methyl-N-[3-(6-methylindazol-1-yl)propyl]pyrazole-3-carboxamide
CID 71688492
N-(3-azidopropyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66122444
2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazole-3-carboxamide
CID 110467157
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3-azidopropyl)-2-methylpyrazole-3-carboxamide (CID 61344724) is N-(3-azidopropyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-azidopropyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-azidopropyl)-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NCCCN=[N+]=[N-].
What is the InChIKey of N-(3-azidopropyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is DHWFVKSTIOYJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O/c1-14-7(3-6-12-14)8(15)10-4-2-5-11-13-9/h3,6H,2,4-5H2,1H3,(H,10,15).
What are the key properties of N-(3-azidopropyl)-2-methylpyrazole-3-carboxamide?
N-(3-azidopropyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 208.22 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azidopropyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 61344724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).