2-ethyl-N-(2-hydroxyethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide

C22H29N3O2 — CID 51594713

IUPAC2-ethyl-N-(2-hydroxyethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCn1nc2c(c1C(=O)N(CCO)[C@@H]1CCCc3ccccc31)CCCC2
InChIInChI=1S/C22H29N3O2/c1-2-25-21(18-11-5-6-12-19(18)23-25)22(27)24(14-15-26)20-13-7-9-16-8-3-4-10-17(16)20/h3-4,8,10,20,26H,2,5-7,9,11-15H2,1H3/t20-/m1/s1
InChIKeyAVJLYBLTULTYHF-HXUWFJFHSA-N
MW367.49 g/mol
LogP3.29
Rot. Bonds5

About 2-ethyl-N-(2-hydroxyethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide

2-ethyl-N-(2-hydroxyethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 51594713) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-ethyl-N-(2-hydroxyethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(2-hydroxyethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID51594713
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-ethyl-N-(2-hydroxyethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCn1nc2c(c1C(=O)N(CCO)[C@@H]1CCCc3ccccc31)CCCC2
InChIInChI=1S/C22H29N3O2/c1-2-25-21(18-11-5-6-12-19(18)23-25)22(27)24(14-15-26)20-13-7-9-16-8-3-4-10-17(16)20/h3-4,8,10,20,26H,2,5-7,9,11-15H2,1H3/t20-/m1/s1
InChIKeyAVJLYBLTULTYHF-HXUWFJFHSA-N
XLogP3.29
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 96576738
1-(2-hydroxyethyl)-3-[(3-methyl-2-pyridinyl)methyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 97073045
1-(2-hydroxyethyl)-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111793383
2-ethyl-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 46957416
3-ethyl-N-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide
CID 41139254
1-(2-hydroxyethyl)-3-[(6-methyl-2-pyridinyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111794044
3-(dicyclopropylmethyl)-1-(2-hydroxyethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111793689
4-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]amino]butanoic acid
CID 122022296
N,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 134791703
1-(2-hydroxyethyl)-3-[(5-methylthiophen-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111793736
3-(6-chloro-3-pyridinyl)-1-(2-hydroxyethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111383083
2-[propyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 65064550

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-hydroxyethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-(2-hydroxyethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 51594713) is 2-ethyl-N-(2-hydroxyethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-(2-hydroxyethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-(2-hydroxyethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide is CCn1nc2c(c1C(=O)N(CCO)[C@@H]1CCCc3ccccc31)CCCC2.
What is the InChIKey of 2-ethyl-N-(2-hydroxyethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is AVJLYBLTULTYHF-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-2-25-21(18-11-5-6-12-19(18)23-25)22(27)24(14-15-26)20-13-7-9-16-8-3-4-10-17(16)20/h3-4,8,10,20,26H,2,5-7,9,11-15H2,1H3/t20-/m1/s1.
What are the key properties of 2-ethyl-N-(2-hydroxyethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
2-ethyl-N-(2-hydroxyethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-hydroxyethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 51594713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).