N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylpyrazol-3-amine

C14H18N4 — CID 114252253

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylpyrazol-3-amine
SMILESCCn1ccc(NCc2ccc3c(c2)CNC3)n1
InChIInChI=1S/C14H18N4/c1-2-18-6-5-14(17-18)16-8-11-3-4-12-9-15-10-13(12)7-11/h3-7,15H,2,8-10H2,1H3,(H,16,17)
InChIKeyDTIGMPKTWLYFBT-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.12
Rot. Bonds4

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylpyrazol-3-amine

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylpyrazol-3-amine (PubChem CID 114252253) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylpyrazol-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylpyrazol-3-amine
PubChem CID114252253
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylpyrazol-3-amine
SMILESCCn1ccc(NCc2ccc3c(c2)CNC3)n1
InChIInChI=1S/C14H18N4/c1-2-18-6-5-14(17-18)16-8-11-3-4-12-9-15-10-13(12)7-11/h3-7,15H,2,8-10H2,1H3,(H,16,17)
InChIKeyDTIGMPKTWLYFBT-UHFFFAOYSA-N
XLogP2.12
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylbenzyl)-1H-pyrazol-3-amine
CID 1511721
1-((4-(propan-2-yl)phenyl)methyl)-1H-pyrazol-5-amine
CID 4962346
1-(4-Methylbenzyl)-1H-pyrazol-3-amine
CID 571039
1-((4-tert-butylphenyl)methyl)-1H-pyrazol-5-amine
CID 4962849
1-((2-methylphenyl)methyl)-1H-pyrazol-3-amine
CID 7010194
2-(1-ethylpyrazol-3-yl)-5-[2-(2H-tetrazol-5-yl)phenyl]-1,3-dihydroisoindole
CID 176251295
N-Benzyl-1-methyl-1H-pyrazol-3-amine
CID 12774754
N-[(1-benzylpyrazol-4-yl)methyl]-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl)methanamine
CID 136137965
1-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-ylmethyl)cyclobutan-1-amine
CID 136196636
N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl)methanamine
CID 136196640
N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl)methanamine
CID 136196706
1-[(2-methylphenyl)methyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-ylmethyl)piperidin-4-amine
CID 136196750

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylpyrazol-3-amine?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylpyrazol-3-amine (CID 114252253) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylpyrazol-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylpyrazol-3-amine?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylpyrazol-3-amine is CCn1ccc(NCc2ccc3c(c2)CNC3)n1.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylpyrazol-3-amine?
The InChIKey is DTIGMPKTWLYFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-2-18-6-5-14(17-18)16-8-11-3-4-12-9-15-10-13(12)7-11/h3-7,15H,2,8-10H2,1H3,(H,16,17).
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylpyrazol-3-amine?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylpyrazol-3-amine has a molecular weight of 242.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylpyrazol-3-amine is sourced from PubChem (CID 114252253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).