N-(5-cyclopropyl-1H-pyrazol-4-yl)-2,3-dimethyl-1H-indole-5-carboxamide

C17H18N4O — CID 146109328

IUPACN-(5-cyclopropyl-1H-pyrazol-4-yl)-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)Nc3cn[nH]c3C3CC3)cc2c1C
InChIInChI=1S/C17H18N4O/c1-9-10(2)19-14-6-5-12(7-13(9)14)17(22)20-15-8-18-21-16(15)11-3-4-11/h5-8,11,19H,3-4H2,1-2H3,(H,18,21)(H,20,22)
InChIKeyVKNNDPYJQKNHNO-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.64
Rot. Bonds3

About N-(5-cyclopropyl-1H-pyrazol-4-yl)-2,3-dimethyl-1H-indole-5-carboxamide

N-(5-cyclopropyl-1H-pyrazol-4-yl)-2,3-dimethyl-1H-indole-5-carboxamide (PubChem CID 146109328) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-4-yl)-2,3-dimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-4-yl)-2,3-dimethyl-1H-indole-5-carboxamide
PubChem CID146109328
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-4-yl)-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)Nc3cn[nH]c3C3CC3)cc2c1C
InChIInChI=1S/C17H18N4O/c1-9-10(2)19-14-6-5-12(7-13(9)14)17(22)20-15-8-18-21-16(15)11-3-4-11/h5-8,11,19H,3-4H2,1-2H3,(H,18,21)(H,20,22)
InChIKeyVKNNDPYJQKNHNO-UHFFFAOYSA-N
XLogP3.64
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.64
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

2,3-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)-1H-indole-5-carboxamide
CID 115630320
2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 61021913
N-(2-iodophenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 26581665
2,3-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1H-indole-5-carboxamide
CID 137255654
2,3-dimethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1H-indole-5-carboxamide
CID 46434037
2,3-dimethyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1H-indole-5-carboxamide
CID 55736357
N-(2,5-dimethylpyrazol-3-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 23474771
N-(2-benzylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 4785719
N-[2-[cyclopropyl(methyl)amino]ethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 47799154
N',N',2,3-tetramethyl-1H-indole-5-carbohydrazide
CID 78911937
N-(cyclohexylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 43002218
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 23474767

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-4-yl)-2,3-dimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-4-yl)-2,3-dimethyl-1H-indole-5-carboxamide (CID 146109328) is N-(5-cyclopropyl-1H-pyrazol-4-yl)-2,3-dimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-4-yl)-2,3-dimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-4-yl)-2,3-dimethyl-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)Nc3cn[nH]c3C3CC3)cc2c1C.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-4-yl)-2,3-dimethyl-1H-indole-5-carboxamide?
The InChIKey is VKNNDPYJQKNHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-9-10(2)19-14-6-5-12(7-13(9)14)17(22)20-15-8-18-21-16(15)11-3-4-11/h5-8,11,19H,3-4H2,1-2H3,(H,18,21)(H,20,22).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-4-yl)-2,3-dimethyl-1H-indole-5-carboxamide?
N-(5-cyclopropyl-1H-pyrazol-4-yl)-2,3-dimethyl-1H-indole-5-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 3.64, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-4-yl)-2,3-dimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 146109328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).