N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-amine

C18H23N3O — CID 129436819

IUPACN-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-amine
SMILESC[C@@H]1Cc2ccccc2[C@@H]1Nc1cnn(C[C@H]2CCCO2)c1
InChIInChI=1S/C18H23N3O/c1-13-9-14-5-2-3-7-17(14)18(13)20-15-10-19-21(11-15)12-16-6-4-8-22-16/h2-3,5,7,10-11,13,16,18,20H,4,6,8-9,12H2,1H3/t13-,16-,18-/m1/s1
InChIKeySPARFMWMONNODR-MZMPZRCHSA-N
MW297.40 g/mol
LogP3.41
Rot. Bonds4

About N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-amine

N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-amine (PubChem CID 129436819) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-amine.

Molecular Properties

Compound NameN-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-amine
PubChem CID129436819
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-amine
SMILESC[C@@H]1Cc2ccccc2[C@@H]1Nc1cnn(C[C@H]2CCCO2)c1
InChIInChI=1S/C18H23N3O/c1-13-9-14-5-2-3-7-17(14)18(13)20-15-10-19-21(11-15)12-16-6-4-8-22-16/h2-3,5,7,10-11,13,16,18,20H,4,6,8-9,12H2,1H3/t13-,16-,18-/m1/s1
InChIKeySPARFMWMONNODR-MZMPZRCHSA-N
XLogP3.41
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 43745571
N,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82835947
1-(oxolan-2-ylmethyl)-N-(2-phenylpropyl)pyrazol-4-amine
CID 43745459
N-(oxepan-4-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 65082002
2-[1-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]ethyl]phenol
CID 43745581
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrimidin-2-amine
CID 171607061
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]formamide
CID 64992205
N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 43745484
4-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide
CID 121145358
N-[(2-methylphenyl)methyl]-N'-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]oxamide
CID 96539643
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 165126942
N-(2-nitrophenyl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 60507129

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-amine?
The IUPAC name of N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-amine (CID 129436819) is N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-amine.
What is the SMILES notation for N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-amine?
The canonical SMILES for N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-amine is C[C@@H]1Cc2ccccc2[C@@H]1Nc1cnn(C[C@H]2CCCO2)c1.
What is the InChIKey of N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-amine?
The InChIKey is SPARFMWMONNODR-MZMPZRCHSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-9-14-5-2-3-7-17(14)18(13)20-15-10-19-21(11-15)12-16-6-4-8-22-16/h2-3,5,7,10-11,13,16,18,20H,4,6,8-9,12H2,1H3/t13-,16-,18-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-amine?
N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-amine has a molecular weight of 297.40 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-amine is sourced from PubChem (CID 129436819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).