N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-indole-6-carboxamide

C18H22N4O — CID 91790635

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-indole-6-carboxamide
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C18H22N4O/c1-18(2,3)16-10-14(20-21-16)11-22(4)17(23)13-6-5-12-7-8-19-15(12)9-13/h5-10,19H,11H2,1-4H3,(H,20,21)
InChIKeyLARNJYSLFJEKHU-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.46
Rot. Bonds3

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-indole-6-carboxamide

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-indole-6-carboxamide (PubChem CID 91790635) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-indole-6-carboxamide
PubChem CID91790635
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-indole-6-carboxamide
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C18H22N4O/c1-18(2,3)16-10-14(20-21-16)11-22(4)17(23)13-6-5-12-7-8-19-15(12)9-13/h5-10,19H,11H2,1-4H3,(H,20,21)
InChIKeyLARNJYSLFJEKHU-UHFFFAOYSA-N
XLogP3.46
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-indole-6-carboxamide
CID 64510794
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide
CID 56745611
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-4-(1,2,4-triazol-4-yl)benzamide
CID 50982286
N-(2,2-difluoroethyl)-N-methyl-1H-indole-6-carboxamide
CID 113231691
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1H-indole-6-carboxamide
CID 29027206
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-N-methylbenzamide
CID 119071382
4-[1H-indole-6-carbonyl(methyl)amino]butanoic acid
CID 63749646
N-chloro-N-methyl-1H-indole-6-carboxamide
CID 156761567
N-methyl-N-(3-methylsulfanylpropyl)-1H-indole-6-carboxamide
CID 114217639
N-methyl-N-(2-phenylmethoxyethyl)-1H-indole-6-carboxamide
CID 166216963
(4R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 97272735
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(1H-indol-7-yl)-N-methylmethanamine
CID 77092242

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-indole-6-carboxamide?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-indole-6-carboxamide (CID 91790635) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-indole-6-carboxamide.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-indole-6-carboxamide?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-indole-6-carboxamide is CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-indole-6-carboxamide?
The InChIKey is LARNJYSLFJEKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-18(2,3)16-10-14(20-21-16)11-22(4)17(23)13-6-5-12-7-8-19-15(12)9-13/h5-10,19H,11H2,1-4H3,(H,20,21).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-indole-6-carboxamide?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-indole-6-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-indole-6-carboxamide is sourced from PubChem (CID 91790635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).