N-(3-azidopropyl)-2-ethyl-5-methylpyrazole-3-carboxamide

C10H16N6O — CID 66122444

IUPACN-(3-azidopropyl)-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCCCN=[N+]=[N-]
InChIInChI=1S/C10H16N6O/c1-3-16-9(7-8(2)14-16)10(17)12-5-4-6-13-15-11/h7H,3-6H2,1-2H3,(H,12,17)
InChIKeyPUCJTTSPZXWWDN-UHFFFAOYSA-N
MW236.28 g/mol
LogP1.64
Rot. Bonds6

About N-(3-azidopropyl)-2-ethyl-5-methylpyrazole-3-carboxamide

N-(3-azidopropyl)-2-ethyl-5-methylpyrazole-3-carboxamide (PubChem CID 66122444) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is N-(3-azidopropyl)-2-ethyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-azidopropyl)-2-ethyl-5-methylpyrazole-3-carboxamide
PubChem CID66122444
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC NameN-(3-azidopropyl)-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCCCN=[N+]=[N-]
InChIInChI=1S/C10H16N6O/c1-3-16-9(7-8(2)14-16)10(17)12-5-4-6-13-15-11/h7H,3-6H2,1-2H3,(H,12,17)
InChIKeyPUCJTTSPZXWWDN-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
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

2-ethyl-N-(6-hydroxyhexyl)-5-methylpyrazole-3-carboxamide
CID 113351807
N-(4-amino-4-hydroxyiminobutyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113223
N-(4-aminopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 114146447
N-(4-chloropentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 106129797
N-(3-amino-3-hydroxyiminopropyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113224
N-(3-azidopropyl)-2-methylpyrazole-3-carboxamide
CID 61344724
N-(2-amino-2-hydroxyiminoethyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113156
2-ethyl-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide
CID 66128465
2-[[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]acetyl]amino]acetic acid
CID 66127823
N-(3-azidopropyl)-1-ethyl-4-nitropyrrole-2-carboxamide
CID 61344558
2-ethyl-N-(3-hydroxy-2-methylpropyl)-5-methylpyrazole-3-carboxamide
CID 66122042
N-(3-azidopropyl)-1-methylimidazole-4-carboxamide
CID 107974564

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3-azidopropyl)-2-ethyl-5-methylpyrazole-3-carboxamide (CID 66122444) is N-(3-azidopropyl)-2-ethyl-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-azidopropyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-azidopropyl)-2-ethyl-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)NCCCN=[N+]=[N-].
What is the InChIKey of N-(3-azidopropyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The InChIKey is PUCJTTSPZXWWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c1-3-16-9(7-8(2)14-16)10(17)12-5-4-6-13-15-11/h7H,3-6H2,1-2H3,(H,12,17).
What are the key properties of N-(3-azidopropyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
N-(3-azidopropyl)-2-ethyl-5-methylpyrazole-3-carboxamide has a molecular weight of 236.28 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azidopropyl)-2-ethyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 66122444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).