N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide

C19H16N4O — CID 142414631

IUPACN-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide
SMILESCc1ccccc1-c1cc2ccc(NC(=O)c3ccn[nH]3)cc2[nH]1
InChIInChI=1S/C19H16N4O/c1-12-4-2-3-5-15(12)18-10-13-6-7-14(11-17(13)22-18)21-19(24)16-8-9-20-23-16/h2-11,22H,1H3,(H,20,23)(H,21,24)
InChIKeyBTEYGJGUSJGYBD-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.12
Rot. Bonds3

About N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide

N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide (PubChem CID 142414631) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide
PubChem CID142414631
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC NameN-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide
SMILESCc1ccccc1-c1cc2ccc(NC(=O)c3ccn[nH]3)cc2[nH]1
InChIInChI=1S/C19H16N4O/c1-12-4-2-3-5-15(12)18-10-13-6-7-14(11-17(13)22-18)21-19(24)16-8-9-20-23-16/h2-11,22H,1H3,(H,20,23)(H,21,24)
InChIKeyBTEYGJGUSJGYBD-UHFFFAOYSA-N
XLogP4.12
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-1H-pyrazole-5-carboxamide
CID 680935
N-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 63078720
N-[3-[hydroxy(naphthalen-2-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide
CID 172723177
4,5-dimethyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
CID 76683517
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide
CID 47177474
N-(2-methylquinolin-3-yl)-1H-pyrazole-5-carboxamide
CID 76850781
N-[3-(chloromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 114293227
2-fluoro-5-(1H-pyrazole-5-carbonylamino)benzoic acid
CID 54920900
3-methyl-2-(1H-pyrazole-5-carbonylamino)benzoic acid
CID 43358363
N-(3-fluoro-4-methylsulfinylphenyl)-1H-pyrazole-5-carboxamide
CID 75394550
N-(4-carbamoylphenyl)-1H-pyrazole-5-carboxamide
CID 19614759
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CID 103789326

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide (CID 142414631) is N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide is Cc1ccccc1-c1cc2ccc(NC(=O)c3ccn[nH]3)cc2[nH]1.
What is the InChIKey of N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is BTEYGJGUSJGYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-12-4-2-3-5-15(12)18-10-13-6-7-14(11-17(13)22-18)21-19(24)16-8-9-20-23-16/h2-11,22H,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide?
N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 4.12, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)-1H-indol-6-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 142414631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).