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

C14H18N4 — CID 117217848

IUPAC5-(1,3-dihydroisoindol-2-ylmethyl)-1-ethylpyrazol-4-amine
SMILESCCn1ncc(N)c1CN1Cc2ccccc2C1
InChIInChI=1S/C14H18N4/c1-2-18-14(13(15)7-16-18)10-17-8-11-5-3-4-6-12(11)9-17/h3-7H,2,8-10,15H2,1H3
InChIKeyBCXSPHRQAQJIRL-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.00
Rot. Bonds3

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

5-(1,3-dihydroisoindol-2-ylmethyl)-1-ethylpyrazol-4-amine (PubChem CID 117217848) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 5-(1,3-dihydroisoindol-2-ylmethyl)-1-ethylpyrazol-4-amine.

Molecular Properties

Compound Name5-(1,3-dihydroisoindol-2-ylmethyl)-1-ethylpyrazol-4-amine
PubChem CID117217848
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name5-(1,3-dihydroisoindol-2-ylmethyl)-1-ethylpyrazol-4-amine
SMILESCCn1ncc(N)c1CN1Cc2ccccc2C1
InChIInChI=1S/C14H18N4/c1-2-18-14(13(15)7-16-18)10-17-8-11-5-3-4-6-12(11)9-17/h3-7H,2,8-10,15H2,1H3
InChIKeyBCXSPHRQAQJIRL-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dihydroisoindol-2-ylmethyl)-1-ethylpyrazol-4-amine?
The IUPAC name of 5-(1,3-dihydroisoindol-2-ylmethyl)-1-ethylpyrazol-4-amine (CID 117217848) is 5-(1,3-dihydroisoindol-2-ylmethyl)-1-ethylpyrazol-4-amine.
What is the SMILES notation for 5-(1,3-dihydroisoindol-2-ylmethyl)-1-ethylpyrazol-4-amine?
The canonical SMILES for 5-(1,3-dihydroisoindol-2-ylmethyl)-1-ethylpyrazol-4-amine is CCn1ncc(N)c1CN1Cc2ccccc2C1.
What is the InChIKey of 5-(1,3-dihydroisoindol-2-ylmethyl)-1-ethylpyrazol-4-amine?
The InChIKey is BCXSPHRQAQJIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-2-18-14(13(15)7-16-18)10-17-8-11-5-3-4-6-12(11)9-17/h3-7H,2,8-10,15H2,1H3.
What are the key properties of 5-(1,3-dihydroisoindol-2-ylmethyl)-1-ethylpyrazol-4-amine?
5-(1,3-dihydroisoindol-2-ylmethyl)-1-ethylpyrazol-4-amine has a molecular weight of 242.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dihydroisoindol-2-ylmethyl)-1-ethylpyrazol-4-amine is sourced from PubChem (CID 117217848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).