1-(2-hydroxyethyl)-3,5-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrazole-4-carboxamide

C19H24N4O2 — CID 167970566

IUPAC1-(2-hydroxyethyl)-3,5-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrazole-4-carboxamide
SMILESCc1nn(CCO)c(C)c1C(=O)NCCc1c[nH]c2cccc(C)c12
InChIInChI=1S/C19H24N4O2/c1-12-5-4-6-16-17(12)15(11-21-16)7-8-20-19(25)18-13(2)22-23(9-10-24)14(18)3/h4-6,11,21,24H,7-10H2,1-3H3,(H,20,25)
InChIKeyLSKNYSPYBZJIMU-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.25
Rot. Bonds6

About 1-(2-hydroxyethyl)-3,5-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrazole-4-carboxamide

1-(2-hydroxyethyl)-3,5-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 167970566) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3,5-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3,5-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrazole-4-carboxamide
PubChem CID167970566
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-(2-hydroxyethyl)-3,5-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrazole-4-carboxamide
SMILESCc1nn(CCO)c(C)c1C(=O)NCCc1c[nH]c2cccc(C)c12
InChIInChI=1S/C19H24N4O2/c1-12-5-4-6-16-17(12)15(11-21-16)7-8-20-19(25)18-13(2)22-23(9-10-24)14(18)3/h4-6,11,21,24H,7-10H2,1-3H3,(H,20,25)
InChIKeyLSKNYSPYBZJIMU-UHFFFAOYSA-N
XLogP2.25
TPSA82.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3,5-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-3,5-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrazole-4-carboxamide (CID 167970566) is 1-(2-hydroxyethyl)-3,5-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-3,5-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-3,5-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrazole-4-carboxamide is Cc1nn(CCO)c(C)c1C(=O)NCCc1c[nH]c2cccc(C)c12.
What is the InChIKey of 1-(2-hydroxyethyl)-3,5-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is LSKNYSPYBZJIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12-5-4-6-16-17(12)15(11-21-16)7-8-20-19(25)18-13(2)22-23(9-10-24)14(18)3/h4-6,11,21,24H,7-10H2,1-3H3,(H,20,25).
What are the key properties of 1-(2-hydroxyethyl)-3,5-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrazole-4-carboxamide?
1-(2-hydroxyethyl)-3,5-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3,5-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 167970566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).