N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1H-indazole-3-carboxamide

C19H22N4O — CID 78867975

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)N(C)Cc3ccc(N(C)C)cc3)c2c1
InChIInChI=1S/C19H22N4O/c1-13-5-10-17-16(11-13)18(21-20-17)19(24)23(4)12-14-6-8-15(9-7-14)22(2)3/h5-11H,12H2,1-4H3,(H,20,21)
InChIKeyASAUPRBUDFBYNU-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.21
Rot. Bonds4

About N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1H-indazole-3-carboxamide

N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1H-indazole-3-carboxamide (PubChem CID 78867975) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1H-indazole-3-carboxamide
PubChem CID78867975
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)N(C)Cc3ccc(N(C)C)cc3)c2c1
InChIInChI=1S/C19H22N4O/c1-13-5-10-17-16(11-13)18(21-20-17)19(24)23(4)12-14-6-8-15(9-7-14)22(2)3/h5-11H,12H2,1-4H3,(H,20,21)
InChIKeyASAUPRBUDFBYNU-UHFFFAOYSA-N
XLogP3.21
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1H-indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,5-dimethyl-1H-indazole-3-carboxamide
CID 56703447
N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide
CID 78866013
N-[(4-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 51162817
N-(1-hydroxypropan-2-yl)-N,5-dimethyl-1H-indazole-3-carboxamide
CID 109388543
N-[(4-bromophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 43003333
N-cyclopropyl-5-methyl-N-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide
CID 86852999
5-amino-N-methyl-N-propyl-1H-indazole-3-carboxamide
CID 54944712
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-5-nitro-1H-indazole-3-carboxamide
CID 134060274
N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-1H-indazole-3-carboxamide
CID 78859037
5-(1,3-benzothiazol-5-yl)-N-benzyl-N-methyl-1H-indazole-3-carboxamide
CID 167992800
N-ethyl-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indazole-3-carboxamide
CID 78867674
5-methyl-N-prop-2-enyl-1H-indazole-3-carboxamide
CID 78859111

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1H-indazole-3-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1H-indazole-3-carboxamide (CID 78867975) is N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1H-indazole-3-carboxamide is Cc1ccc2[nH]nc(C(=O)N(C)Cc3ccc(N(C)C)cc3)c2c1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1H-indazole-3-carboxamide?
The InChIKey is ASAUPRBUDFBYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-5-10-17-16(11-13)18(21-20-17)19(24)23(4)12-14-6-8-15(9-7-14)22(2)3/h5-11H,12H2,1-4H3,(H,20,21).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1H-indazole-3-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1H-indazole-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 78867975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).