N-(2-hydroxyethyl)-2-[4-[[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]amino]pyrazol-1-yl]acetamide

C17H22N4O2 — CID 99782204

IUPACN-(2-hydroxyethyl)-2-[4-[[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]amino]pyrazol-1-yl]acetamide
SMILESC[C@@H]1Cc2ccccc2[C@@H]1Nc1cnn(CC(=O)NCCO)c1
InChIInChI=1S/C17H22N4O2/c1-12-8-13-4-2-3-5-15(13)17(12)20-14-9-19-21(10-14)11-16(23)18-6-7-22/h2-5,9-10,12,17,20,22H,6-8,11H2,1H3,(H,18,23)/t12-,17-/m1/s1
InChIKeyMQNWHVRNSQVTTD-SJKOYZFVSA-N
MW314.39 g/mol
LogP1.34
Rot. Bonds6

About N-(2-hydroxyethyl)-2-[4-[[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]amino]pyrazol-1-yl]acetamide

N-(2-hydroxyethyl)-2-[4-[[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]amino]pyrazol-1-yl]acetamide (PubChem CID 99782204) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[4-[[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]amino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[4-[[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]amino]pyrazol-1-yl]acetamide
PubChem CID99782204
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-(2-hydroxyethyl)-2-[4-[[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]amino]pyrazol-1-yl]acetamide
SMILESC[C@@H]1Cc2ccccc2[C@@H]1Nc1cnn(CC(=O)NCCO)c1
InChIInChI=1S/C17H22N4O2/c1-12-8-13-4-2-3-5-15(13)17(12)20-14-9-19-21(10-14)11-16(23)18-6-7-22/h2-5,9-10,12,17,20,22H,6-8,11H2,1H3,(H,18,23)/t12-,17-/m1/s1
InChIKeyMQNWHVRNSQVTTD-SJKOYZFVSA-N
XLogP1.34
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[4-[[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]amino]pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[4-[[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]amino]pyrazol-1-yl]acetamide (CID 99782204) is N-(2-hydroxyethyl)-2-[4-[[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]amino]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[4-[[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]amino]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[4-[[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]amino]pyrazol-1-yl]acetamide is C[C@@H]1Cc2ccccc2[C@@H]1Nc1cnn(CC(=O)NCCO)c1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[4-[[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]amino]pyrazol-1-yl]acetamide?
The InChIKey is MQNWHVRNSQVTTD-SJKOYZFVSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-8-13-4-2-3-5-15(13)17(12)20-14-9-19-21(10-14)11-16(23)18-6-7-22/h2-5,9-10,12,17,20,22H,6-8,11H2,1H3,(H,18,23)/t12-,17-/m1/s1.
What are the key properties of N-(2-hydroxyethyl)-2-[4-[[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]amino]pyrazol-1-yl]acetamide?
N-(2-hydroxyethyl)-2-[4-[[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]amino]pyrazol-1-yl]acetamide has a molecular weight of 314.39 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[4-[[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]amino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 99782204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).