(1R,2R)-2-hydroxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]-2,3-dihydro-1H-indene-1-carboxamide

C15H18N4O2 — CID 69130071

IUPAC(1R,2R)-2-hydroxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]-2,3-dihydro-1H-indene-1-carboxamide
SMILESCn1ccc(NCc2ccc3c(c2)[C@@H](C(N)=O)[C@H](O)C3)n1
InChIInChI=1S/C15H18N4O2/c1-19-5-4-13(18-19)17-8-9-2-3-10-7-12(20)14(15(16)21)11(10)6-9/h2-6,12,14,20H,7-8H2,1H3,(H2,16,21)(H,17,18)/t12-,14-/m1/s1
InChIKeyBGQPREJHSGDPEN-TZMCWYRMSA-N
MW286.33 g/mol
LogP0.52
Rot. Bonds4

About (1R,2R)-2-hydroxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]-2,3-dihydro-1H-indene-1-carboxamide

(1R,2R)-2-hydroxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 69130071) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is (1R,2R)-2-hydroxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound Name(1R,2R)-2-hydroxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID69130071
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name(1R,2R)-2-hydroxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]-2,3-dihydro-1H-indene-1-carboxamide
SMILESCn1ccc(NCc2ccc3c(c2)[C@@H](C(N)=O)[C@H](O)C3)n1
InChIInChI=1S/C15H18N4O2/c1-19-5-4-13(18-19)17-8-9-2-3-10-7-12(20)14(15(16)21)11(10)6-9/h2-6,12,14,20H,7-8H2,1H3,(H2,16,21)(H,17,18)/t12-,14-/m1/s1
InChIKeyBGQPREJHSGDPEN-TZMCWYRMSA-N
XLogP0.52
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (1R,2R)-2-hydroxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]-2,3-dihydro-1H-indene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-hydroxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of (1R,2R)-2-hydroxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]-2,3-dihydro-1H-indene-1-carboxamide (CID 69130071) is (1R,2R)-2-hydroxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for (1R,2R)-2-hydroxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for (1R,2R)-2-hydroxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]-2,3-dihydro-1H-indene-1-carboxamide is Cn1ccc(NCc2ccc3c(c2)[C@@H](C(N)=O)[C@H](O)C3)n1.
What is the InChIKey of (1R,2R)-2-hydroxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is BGQPREJHSGDPEN-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-19-5-4-13(18-19)17-8-9-2-3-10-7-12(20)14(15(16)21)11(10)6-9/h2-6,12,14,20H,7-8H2,1H3,(H2,16,21)(H,17,18)/t12-,14-/m1/s1.
What are the key properties of (1R,2R)-2-hydroxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]-2,3-dihydro-1H-indene-1-carboxamide?
(1R,2R)-2-hydroxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-hydroxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 69130071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).