N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine

C17H23N3O — CID 43728901

IUPACN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCn1cc(NC(C)c2ccc3c(c2)CCC3)cn1
InChIInChI=1S/C17H23N3O/c1-13(15-7-6-14-4-3-5-16(14)10-15)19-17-11-18-20(12-17)8-9-21-2/h6-7,10-13,19H,3-5,8-9H2,1-2H3
InChIKeyMRMUYGSNQYCSHT-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.19
Rot. Bonds6

About N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine (PubChem CID 43728901) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine
PubChem CID43728901
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCn1cc(NC(C)c2ccc3c(c2)CCC3)cn1
InChIInChI=1S/C17H23N3O/c1-13(15-7-6-14-4-3-5-16(14)10-15)19-17-11-18-20(12-17)8-9-21-2/h6-7,10-13,19H,3-5,8-9H2,1-2H3
InChIKeyMRMUYGSNQYCSHT-UHFFFAOYSA-N
XLogP3.19
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]pyrazol-4-amine
CID 43728870
1-(2-methoxyethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazol-4-amine
CID 43729057
1-(2-methoxyethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine
CID 43729075
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]pyridin-3-amine
CID 43200742
N-[1-(4-ethylphenyl)propyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43728906
N-[1-(4-chlorophenyl)propyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729107
N-[1-(4-bromophenyl)propyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43728920
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,5-dimethylaniline
CID 43100562
N-[1-(4-chlorophenyl)butyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43728872
[2,3-dihydro-1H-inden-5-yl-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288546
N-[1-(3,4-dimethylphenyl)ethyl]-1-ethylpyrazol-4-amine
CID 43543382
3-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-methoxyaniline
CID 82860544

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine (CID 43728901) is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine is COCCn1cc(NC(C)c2ccc3c(c2)CCC3)cn1.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The InChIKey is MRMUYGSNQYCSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13(15-7-6-14-4-3-5-16(14)10-15)19-17-11-18-20(12-17)8-9-21-2/h6-7,10-13,19H,3-5,8-9H2,1-2H3.
What are the key properties of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine?
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine is sourced from PubChem (CID 43728901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).