5-(2,3-dihydroindol-1-ylmethyl)-1-ethylpyrazol-4-amine

C14H18N4 — CID 117217840

IUPAC5-(2,3-dihydroindol-1-ylmethyl)-1-ethylpyrazol-4-amine
SMILESCCn1ncc(N)c1CN1CCc2ccccc21
InChIInChI=1S/C14H18N4/c1-2-18-14(12(15)9-16-18)10-17-8-7-11-5-3-4-6-13(11)17/h3-6,9H,2,7-8,10,15H2,1H3
InChIKeyFYMKVXALDGTRSB-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.05
Rot. Bonds3

About 5-(2,3-dihydroindol-1-ylmethyl)-1-ethylpyrazol-4-amine

5-(2,3-dihydroindol-1-ylmethyl)-1-ethylpyrazol-4-amine (PubChem CID 117217840) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-ylmethyl)-1-ethylpyrazol-4-amine.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-ylmethyl)-1-ethylpyrazol-4-amine
PubChem CID117217840
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name5-(2,3-dihydroindol-1-ylmethyl)-1-ethylpyrazol-4-amine
SMILESCCn1ncc(N)c1CN1CCc2ccccc21
InChIInChI=1S/C14H18N4/c1-2-18-14(12(15)9-16-18)10-17-8-7-11-5-3-4-6-13(11)17/h3-6,9H,2,7-8,10,15H2,1H3
InChIKeyFYMKVXALDGTRSB-UHFFFAOYSA-N
XLogP2.05
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,3-dihydroisoindol-2-ylmethyl)-1-ethylpyrazol-4-amine
CID 117217848
5-(azepan-1-ylmethyl)-1-ethylpyrazol-4-amine
CID 117217892
1-(chloromethyl)-2,3-dihydroindole
CID 59108457
2-amino-4-(2,3-dihydroindol-1-ylmethyl)phenol
CID 43375648
4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,2-oxazole
CID 121174038
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanamine
CID 16793024
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-trimethylsilane
CID 103438257
2-(2,3-dihydroindol-1-ylmethyl)quinolin-4-amine
CID 115485710
1-butyl-2,3-dihydroindole
CID 4167209
1-(furan-2-ylmethyl)-2,3-dihydroindole
CID 14884168
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
3-(2,3-dihydroindol-1-ylmethyl)quinolin-2-amine
CID 62178051

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-ylmethyl)-1-ethylpyrazol-4-amine?
The IUPAC name of 5-(2,3-dihydroindol-1-ylmethyl)-1-ethylpyrazol-4-amine (CID 117217840) is 5-(2,3-dihydroindol-1-ylmethyl)-1-ethylpyrazol-4-amine.
What is the SMILES notation for 5-(2,3-dihydroindol-1-ylmethyl)-1-ethylpyrazol-4-amine?
The canonical SMILES for 5-(2,3-dihydroindol-1-ylmethyl)-1-ethylpyrazol-4-amine is CCn1ncc(N)c1CN1CCc2ccccc21.
What is the InChIKey of 5-(2,3-dihydroindol-1-ylmethyl)-1-ethylpyrazol-4-amine?
The InChIKey is FYMKVXALDGTRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-2-18-14(12(15)9-16-18)10-17-8-7-11-5-3-4-6-13(11)17/h3-6,9H,2,7-8,10,15H2,1H3.
What are the key properties of 5-(2,3-dihydroindol-1-ylmethyl)-1-ethylpyrazol-4-amine?
5-(2,3-dihydroindol-1-ylmethyl)-1-ethylpyrazol-4-amine has a molecular weight of 242.33 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-ylmethyl)-1-ethylpyrazol-4-amine is sourced from PubChem (CID 117217840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).