N-[(1-methylimidazol-2-yl)methyl]-1H-indazole-5-carboxamide

C13H13N5O — CID 110468627

IUPACN-[(1-methylimidazol-2-yl)methyl]-1H-indazole-5-carboxamide
SMILESCn1ccnc1CNC(=O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C13H13N5O/c1-18-5-4-14-12(18)8-15-13(19)9-2-3-11-10(6-9)7-16-17-11/h2-7H,8H2,1H3,(H,15,19)(H,16,17)
InChIKeyOCEHWNFVDKFRLE-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.23
Rot. Bonds3

About N-[(1-methylimidazol-2-yl)methyl]-1H-indazole-5-carboxamide

N-[(1-methylimidazol-2-yl)methyl]-1H-indazole-5-carboxamide (PubChem CID 110468627) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-1H-indazole-5-carboxamide
PubChem CID110468627
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-1H-indazole-5-carboxamide
SMILESCn1ccnc1CNC(=O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C13H13N5O/c1-18-5-4-14-12(18)8-15-13(19)9-2-3-11-10(6-9)7-16-17-11/h2-7H,8H2,1H3,(H,15,19)(H,16,17)
InChIKeyOCEHWNFVDKFRLE-UHFFFAOYSA-N
XLogP1.23
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylimidazol-2-yl)methyl]-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide
CID 170610597
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinoxaline-6-carboxamide
CID 110440656
N-[(4-tert-butylphenyl)methyl]-1H-indazole-5-carboxamide
CID 22933798
4-amino-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63295986
3-bromo-4-chloro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 113329947
4-(bromomethyl)-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 102851668
N-methyl-1H-indazole-5-carboxamide
CID 22934041
N-(2-amino-2-oxoethyl)-1H-indazole-5-carboxamide
CID 63929072
N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-5-carboxamide
CID 109381268
3-(1H-indazole-5-carbonylamino)propanoic acid
CID 43354730
N-(2-hydroxy-4,4-dimethylpentyl)-1H-indazole-5-carboxamide
CID 103719083
3-cyano-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 55168275

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1H-indazole-5-carboxamide (CID 110468627) is N-[(1-methylimidazol-2-yl)methyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-1H-indazole-5-carboxamide is Cn1ccnc1CNC(=O)c1ccc2[nH]ncc2c1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-1H-indazole-5-carboxamide?
The InChIKey is OCEHWNFVDKFRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-18-5-4-14-12(18)8-15-13(19)9-2-3-11-10(6-9)7-16-17-11/h2-7H,8H2,1H3,(H,15,19)(H,16,17).
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-1H-indazole-5-carboxamide?
N-[(1-methylimidazol-2-yl)methyl]-1H-indazole-5-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 110468627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).