N,1,7-trimethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]indole-2-carboxamide

C22H22N4O — CID 72839693

IUPACN,1,7-trimethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]indole-2-carboxamide
SMILESCc1cccc2cc(C(=O)N(C)Cc3cn[nH]c3-c3ccccc3)n(C)c12
InChIInChI=1S/C22H22N4O/c1-15-8-7-11-17-12-19(26(3)21(15)17)22(27)25(2)14-18-13-23-24-20(18)16-9-5-4-6-10-16/h4-13H,14H2,1-3H3,(H,23,24)
InChIKeyXTJSORUQLJSXAW-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.15
Rot. Bonds4

About N,1,7-trimethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]indole-2-carboxamide

N,1,7-trimethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]indole-2-carboxamide (PubChem CID 72839693) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N,1,7-trimethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]indole-2-carboxamide.

Molecular Properties

Compound NameN,1,7-trimethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]indole-2-carboxamide
PubChem CID72839693
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN,1,7-trimethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]indole-2-carboxamide
SMILESCc1cccc2cc(C(=O)N(C)Cc3cn[nH]c3-c3ccccc3)n(C)c12
InChIInChI=1S/C22H22N4O/c1-15-8-7-11-17-12-19(26(3)21(15)17)22(27)25(2)14-18-13-23-24-20(18)16-9-5-4-6-10-16/h4-13H,14H2,1-3H3,(H,23,24)
InChIKeyXTJSORUQLJSXAW-UHFFFAOYSA-N
XLogP4.15
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4,6-trimethyl-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide
CID 50959051
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propanamide
CID 91793169
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4-dimethylpyridine-3-carboxamide
CID 46982592
N-ethyl-N-[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]sulfamoyl]ethanamine
CID 131892694
2-[methyl-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]amino]propanoic acid
CID 122036968
(1R,2S,4R)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 56748968
N,N-dimethyl-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 60664694
2-[[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]methyl]quinolin-8-ol
CID 56709649
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 86855483
N-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 167773541
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methanamine
CID 42197416
4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 55178020

Frequently Asked Questions

What is the IUPAC name of N,1,7-trimethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]indole-2-carboxamide?
The IUPAC name of N,1,7-trimethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]indole-2-carboxamide (CID 72839693) is N,1,7-trimethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]indole-2-carboxamide.
What is the SMILES notation for N,1,7-trimethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]indole-2-carboxamide?
The canonical SMILES for N,1,7-trimethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]indole-2-carboxamide is Cc1cccc2cc(C(=O)N(C)Cc3cn[nH]c3-c3ccccc3)n(C)c12.
What is the InChIKey of N,1,7-trimethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]indole-2-carboxamide?
The InChIKey is XTJSORUQLJSXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-15-8-7-11-17-12-19(26(3)21(15)17)22(27)25(2)14-18-13-23-24-20(18)16-9-5-4-6-10-16/h4-13H,14H2,1-3H3,(H,23,24).
What are the key properties of N,1,7-trimethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]indole-2-carboxamide?
N,1,7-trimethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]indole-2-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,7-trimethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]indole-2-carboxamide is sourced from PubChem (CID 72839693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).