1-methyl-N-pent-4-ynylindazole-3-carboxamide

C14H15N3O — CID 106223254

IUPAC1-methyl-N-pent-4-ynylindazole-3-carboxamide
SMILESC#CCCCNC(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C14H15N3O/c1-3-4-7-10-15-14(18)13-11-8-5-6-9-12(11)17(2)16-13/h1,5-6,8-9H,4,7,10H2,2H3,(H,15,18)
InChIKeyMOWBDXRANDEGLZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.72
Rot. Bonds4

About 1-methyl-N-pent-4-ynylindazole-3-carboxamide

1-methyl-N-pent-4-ynylindazole-3-carboxamide (PubChem CID 106223254) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-methyl-N-pent-4-ynylindazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-pent-4-ynylindazole-3-carboxamide
PubChem CID106223254
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-methyl-N-pent-4-ynylindazole-3-carboxamide
SMILESC#CCCCNC(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C14H15N3O/c1-3-4-7-10-15-14(18)13-11-8-5-6-9-12(11)17(2)16-13/h1,5-6,8-9H,4,7,10H2,2H3,(H,15,18)
InChIKeyMOWBDXRANDEGLZ-UHFFFAOYSA-N
XLogP1.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
N-(3-bromopropyl)-1-methylindazole-3-carboxamide
CID 103119709
6-[(1-methylindazole-3-carbonyl)amino]hexanoic acid
CID 103116333
1-methyl-N-(5-piperidin-1-ylpentyl)indazole-3-carboxamide
CID 54486483
N-(2-chloroethyl)-1-methylindazole-3-carboxamide
CID 103119713
N-(4-azidobutyl)-1-methylindazole-3-carboxamide
CID 106386463
methyl 3-[(1-methylindazole-3-carbonyl)amino]propanoate
CID 103121172
2-methyl-4-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103117045
N-[2-(2-hydroxypropylamino)ethyl]-1-methylindazole-3-carboxamide
CID 103121080
N-(2-chloropropyl)-1-methylindazole-3-carboxamide
CID 103122559
N-[(2-chlorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822183
N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822185

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-pent-4-ynylindazole-3-carboxamide?
The IUPAC name of 1-methyl-N-pent-4-ynylindazole-3-carboxamide (CID 106223254) is 1-methyl-N-pent-4-ynylindazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-pent-4-ynylindazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-pent-4-ynylindazole-3-carboxamide is C#CCCCNC(=O)c1nn(C)c2ccccc12.
What is the InChIKey of 1-methyl-N-pent-4-ynylindazole-3-carboxamide?
The InChIKey is MOWBDXRANDEGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-3-4-7-10-15-14(18)13-11-8-5-6-9-12(11)17(2)16-13/h1,5-6,8-9H,4,7,10H2,2H3,(H,15,18).
What are the key properties of 1-methyl-N-pent-4-ynylindazole-3-carboxamide?
1-methyl-N-pent-4-ynylindazole-3-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-pent-4-ynylindazole-3-carboxamide is sourced from PubChem (CID 106223254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).