N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5,7-trimethyl-1H-indole-2-carboxamide

C18H22N4O — CID 46963623

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5,7-trimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2[nH]c(C(=O)NCc3c(C)n[nH]c3C)c(C)c2c1
InChIInChI=1S/C18H22N4O/c1-9-6-10(2)16-14(7-9)11(3)17(20-16)18(23)19-8-15-12(4)21-22-13(15)5/h6-7,20H,8H2,1-5H3,(H,19,23)(H,21,22)
InChIKeyCWVSDHACABBBJY-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.36
Rot. Bonds3

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5,7-trimethyl-1H-indole-2-carboxamide

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5,7-trimethyl-1H-indole-2-carboxamide (PubChem CID 46963623) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5,7-trimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5,7-trimethyl-1H-indole-2-carboxamide
PubChem CID46963623
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5,7-trimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2[nH]c(C(=O)NCc3c(C)n[nH]c3C)c(C)c2c1
InChIInChI=1S/C18H22N4O/c1-9-6-10(2)16-14(7-9)11(3)17(20-16)18(23)19-8-15-12(4)21-22-13(15)5/h6-7,20H,8H2,1-5H3,(H,19,23)(H,21,22)
InChIKeyCWVSDHACABBBJY-UHFFFAOYSA-N
XLogP3.36
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-hydroxy-2-pyridin-2-ylethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide
CID 97126647
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylbenzamide
CID 110731036
N-[(2R)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3,5,7-trimethyl-1H-indole-2-carboxamide
CID 51498035
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1H-imidazole-5-carboxamide
CID 110467498
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide
CID 110442349
3,5,7-trimethyl-N-[(3S)-pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydrochloride
CID 154896293
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-methoxy-2-methylpyridine-4-carboxamide
CID 146037964
3-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propanamide
CID 110460201
3,5,7-trimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide
CID 16677139
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)acetamide
CID 112528463
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 46961707
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5,6-dihydro-4H-cyclopenta[c]furan-3-carboxamide
CID 126801431

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5,7-trimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5,7-trimethyl-1H-indole-2-carboxamide (CID 46963623) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5,7-trimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5,7-trimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5,7-trimethyl-1H-indole-2-carboxamide is Cc1cc(C)c2[nH]c(C(=O)NCc3c(C)n[nH]c3C)c(C)c2c1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5,7-trimethyl-1H-indole-2-carboxamide?
The InChIKey is CWVSDHACABBBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-9-6-10(2)16-14(7-9)11(3)17(20-16)18(23)19-8-15-12(4)21-22-13(15)5/h6-7,20H,8H2,1-5H3,(H,19,23)(H,21,22).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5,7-trimethyl-1H-indole-2-carboxamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5,7-trimethyl-1H-indole-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5,7-trimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 46963623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).