(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone

C15H16N4O — CID 62204451

IUPAC(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESNc1c(C(=O)N2Cc3ccccc3C2)n[nH]c1C1CC1
InChIInChI=1S/C15H16N4O/c16-12-13(9-5-6-9)17-18-14(12)15(20)19-7-10-3-1-2-4-11(10)8-19/h1-4,9H,5-8,16H2,(H,17,18)
InChIKeyFLMJGCMEOVBQTM-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.03
Rot. Bonds2

About (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone

(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone (PubChem CID 62204451) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone
PubChem CID62204451
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESNc1c(C(=O)N2Cc3ccccc3C2)n[nH]c1C1CC1
InChIInChI=1S/C15H16N4O/c16-12-13(9-5-6-9)17-18-14(12)15(20)19-7-10-3-1-2-4-11(10)8-19/h1-4,9H,5-8,16H2,(H,17,18)
InChIKeyFLMJGCMEOVBQTM-UHFFFAOYSA-N
XLogP2.03
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone (CID 62204451) is (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone is Nc1c(C(=O)N2Cc3ccccc3C2)n[nH]c1C1CC1.
What is the InChIKey of (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is FLMJGCMEOVBQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c16-12-13(9-5-6-9)17-18-14(12)15(20)19-7-10-3-1-2-4-11(10)8-19/h1-4,9H,5-8,16H2,(H,17,18).
What are the key properties of (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone?
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 268.32 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 62204451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).