N-(4-azidobutyl)-1,5-dimethylpyrazole-4-carboxamide

C10H16N6O — CID 106386535

IUPACN-(4-azidobutyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCCCN=[N+]=[N-])cnn1C
InChIInChI=1S/C10H16N6O/c1-8-9(7-14-16(8)2)10(17)12-5-3-4-6-13-15-11/h7H,3-6H2,1-2H3,(H,12,17)
InChIKeyHBCFJPNOWZAOBT-UHFFFAOYSA-N
MW236.28 g/mol
LogP1.55
Rot. Bonds6

About N-(4-azidobutyl)-1,5-dimethylpyrazole-4-carboxamide

N-(4-azidobutyl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 106386535) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is N-(4-azidobutyl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-azidobutyl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID106386535
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC NameN-(4-azidobutyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCCCN=[N+]=[N-])cnn1C
InChIInChI=1S/C10H16N6O/c1-8-9(7-14-16(8)2)10(17)12-5-3-4-6-13-15-11/h7H,3-6H2,1-2H3,(H,12,17)
InChIKeyHBCFJPNOWZAOBT-UHFFFAOYSA-N
XLogP1.55
TPSA95.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 51.55
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-(5-bromopentyl)-1,5-dimethylpyrazole-4-carboxamide
CID 107322076
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]butanoyl chloride
CID 19473967
N-(4-hydroxypentyl)-1,5-dimethylpyrazole-4-carboxamide
CID 107299585
N-[3-(2-hydroxyethoxy)propyl]-1,5-dimethylpyrazole-4-carboxamide
CID 113364754
N-(4-azidobutyl)-2-methylpyridine-3-carboxamide
CID 106386346
N-(3-amino-3-sulfanylidenepropyl)-1,5-dimethylpyrazole-4-carboxamide
CID 62665555
N-(3-azidopropyl)-2-methylpyrazole-3-carboxamide
CID 61344724
N-(4-azidobutyl)-2-bromo-4-methylbenzamide
CID 106386313
N-(4-azidobutyl)-2-chloro-4-methylbenzamide
CID 106386858
N-(4-azidobutyl)-1-methylindazole-3-carboxamide
CID 106386463
N-(4-azidobutyl)-3-fluoro-5-methylbenzamide
CID 106386517
N-(4-azidobutyl)-2,6-difluoro-3-methylbenzamide
CID 106386362

Frequently Asked Questions

What is the IUPAC name of N-(4-azidobutyl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(4-azidobutyl)-1,5-dimethylpyrazole-4-carboxamide (CID 106386535) is N-(4-azidobutyl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-azidobutyl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-azidobutyl)-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)NCCCCN=[N+]=[N-])cnn1C.
What is the InChIKey of N-(4-azidobutyl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is HBCFJPNOWZAOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c1-8-9(7-14-16(8)2)10(17)12-5-3-4-6-13-15-11/h7H,3-6H2,1-2H3,(H,12,17).
What are the key properties of N-(4-azidobutyl)-1,5-dimethylpyrazole-4-carboxamide?
N-(4-azidobutyl)-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 236.28 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidobutyl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 106386535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).