N-(2,3-dihydro-1H-inden-1-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine

C17H21N3O — CID 43745571

IUPACN-(2,3-dihydro-1H-inden-1-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESc1ccc2c(c1)CCC2Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C17H21N3O/c1-2-6-16-13(4-1)7-8-17(16)19-14-10-18-20(11-14)12-15-5-3-9-21-15/h1-2,4,6,10-11,15,17,19H,3,5,7-9,12H2
InChIKeyPKKGYWNOHVXWLV-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.16
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-1-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine

N-(2,3-dihydro-1H-inden-1-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine (PubChem CID 43745571) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine
PubChem CID43745571
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESc1ccc2c(c1)CCC2Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C17H21N3O/c1-2-6-16-13(4-1)7-8-17(16)19-14-10-18-20(11-14)12-15-5-3-9-21-15/h1-2,4,6,10-11,15,17,19H,3,5,7-9,12H2
InChIKeyPKKGYWNOHVXWLV-UHFFFAOYSA-N
XLogP3.16
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-amine
CID 129436819
N,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82835947
2-[4-(2,3-dihydro-1H-inden-1-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 60932180
N-(oxepan-4-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 65082002
1-(oxolan-2-ylmethyl)-N-(2-phenylpropyl)pyrazol-4-amine
CID 43745459
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-[2-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 54917499
2-[1-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]ethyl]phenol
CID 43745581
N-(2-nitrophenyl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 60507129
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 165126942
N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 43745484

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine (CID 43745571) is N-(2,3-dihydro-1H-inden-1-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine is c1ccc2c(c1)CCC2Nc1cnn(CC2CCCO2)c1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The InChIKey is PKKGYWNOHVXWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-6-16-13(4-1)7-8-17(16)19-14-10-18-20(11-14)12-15-5-3-9-21-15/h1-2,4,6,10-11,15,17,19H,3,5,7-9,12H2.
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
N-(2,3-dihydro-1H-inden-1-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine has a molecular weight of 283.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 43745571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).