N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3-dimethylindole-2-carboxamide

C21H26N4O — CID 77081747

IUPACN-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3-dimethylindole-2-carboxamide
SMILESCc1cc(C)n(CC2(CNC(=O)c3c(C)c4ccccc4n3C)CC2)n1
InChIInChI=1S/C21H26N4O/c1-14-11-15(2)25(23-14)13-21(9-10-21)12-22-20(26)19-16(3)17-7-5-6-8-18(17)24(19)4/h5-8,11H,9-10,12-13H2,1-4H3,(H,22,26)
InChIKeyUPMHCDXLZCSONX-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.51
Rot. Bonds5

About N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3-dimethylindole-2-carboxamide

N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3-dimethylindole-2-carboxamide (PubChem CID 77081747) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3-dimethylindole-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3-dimethylindole-2-carboxamide
PubChem CID77081747
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3-dimethylindole-2-carboxamide
SMILESCc1cc(C)n(CC2(CNC(=O)c3c(C)c4ccccc4n3C)CC2)n1
InChIInChI=1S/C21H26N4O/c1-14-11-15(2)25(23-14)13-21(9-10-21)12-22-20(26)19-16(3)17-7-5-6-8-18(17)24(19)4/h5-8,11H,9-10,12-13H2,1-4H3,(H,22,26)
InChIKeyUPMHCDXLZCSONX-UHFFFAOYSA-N
XLogP3.51
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-methoxy-1-methylindole-2-carboxamide
CID 77085723
3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methylindole-2-carboxamide
CID 51123400
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide
CID 154822775
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 74230830
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 74241544
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide
CID 72930030
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 77086345
N-(3-methoxypropyl)-1,3-dimethylindole-2-carboxamide
CID 113204340
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide
CID 77080131
(1S,3R,4R)-3-amino-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-4-hydroxycyclohexane-1-carboxamide;hydrochloride
CID 155939781
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 131897807
1,3-dimethyl-N-propan-2-ylindole-2-carboxamide
CID 113204328

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3-dimethylindole-2-carboxamide?
The IUPAC name of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3-dimethylindole-2-carboxamide (CID 77081747) is N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3-dimethylindole-2-carboxamide.
What is the SMILES notation for N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3-dimethylindole-2-carboxamide?
The canonical SMILES for N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3-dimethylindole-2-carboxamide is Cc1cc(C)n(CC2(CNC(=O)c3c(C)c4ccccc4n3C)CC2)n1.
What is the InChIKey of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3-dimethylindole-2-carboxamide?
The InChIKey is UPMHCDXLZCSONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-14-11-15(2)25(23-14)13-21(9-10-21)12-22-20(26)19-16(3)17-7-5-6-8-18(17)24(19)4/h5-8,11H,9-10,12-13H2,1-4H3,(H,22,26).
What are the key properties of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3-dimethylindole-2-carboxamide?
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3-dimethylindole-2-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3-dimethylindole-2-carboxamide is sourced from PubChem (CID 77081747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).