3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methylindole-2-carboxamide

C19H23ClN4O — CID 51123400

IUPAC3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methylindole-2-carboxamide
SMILESCc1cc(C)n(CC(C)CNC(=O)c2c(Cl)c3ccccc3n2C)n1
InChIInChI=1S/C19H23ClN4O/c1-12(11-24-14(3)9-13(2)22-24)10-21-19(25)18-17(20)15-7-5-6-8-16(15)23(18)4/h5-9,12H,10-11H2,1-4H3,(H,21,25)
InChIKeyCXVQOSUSBWVZSJ-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.71
Rot. Bonds5

About 3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methylindole-2-carboxamide

3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methylindole-2-carboxamide (PubChem CID 51123400) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methylindole-2-carboxamide
PubChem CID51123400
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methylindole-2-carboxamide
SMILESCc1cc(C)n(CC(C)CNC(=O)c2c(Cl)c3ccccc3n2C)n1
InChIInChI=1S/C19H23ClN4O/c1-12(11-24-14(3)9-13(2)22-24)10-21-19(25)18-17(20)15-7-5-6-8-16(15)23(18)4/h5-9,12H,10-11H2,1-4H3,(H,21,25)
InChIKeyCXVQOSUSBWVZSJ-UHFFFAOYSA-N
XLogP3.71
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 111447034
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N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)acetamide
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CID 77081747
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
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N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
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CID 47042468
1-(3-chlorophenyl)-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]urea
CID 19590515
1-benzyl-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-ethylpyrazole-4-carboxamide
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(2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylbutanamide
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methylindole-2-carboxamide?
The IUPAC name of 3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methylindole-2-carboxamide (CID 51123400) is 3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methylindole-2-carboxamide?
The canonical SMILES for 3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methylindole-2-carboxamide is Cc1cc(C)n(CC(C)CNC(=O)c2c(Cl)c3ccccc3n2C)n1.
What is the InChIKey of 3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methylindole-2-carboxamide?
The InChIKey is CXVQOSUSBWVZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-12(11-24-14(3)9-13(2)22-24)10-21-19(25)18-17(20)15-7-5-6-8-16(15)23(18)4/h5-9,12H,10-11H2,1-4H3,(H,21,25).
What are the key properties of 3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methylindole-2-carboxamide?
3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methylindole-2-carboxamide has a molecular weight of 358.87 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 51123400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).