4-(naphthalen-2-ylmethyl)-5-propan-2-yl-1,2-dihydropyrazol-3-one

C17H18N2O — CID 10084285

IUPAC4-(naphthalen-2-ylmethyl)-5-propan-2-yl-1,2-dihydropyrazol-3-one
SMILESCC(C)c1[nH][nH]c(=O)c1Cc1ccc2ccccc2c1
InChIInChI=1S/C17H18N2O/c1-11(2)16-15(17(20)19-18-16)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9,11H,10H2,1-2H3,(H2,18,19,20)
InChIKeyTWLVUFPVMPPXQX-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.57
Rot. Bonds3

About 4-(naphthalen-2-ylmethyl)-5-propan-2-yl-1,2-dihydropyrazol-3-one

4-(naphthalen-2-ylmethyl)-5-propan-2-yl-1,2-dihydropyrazol-3-one (PubChem CID 10084285) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(naphthalen-2-ylmethyl)-5-propan-2-yl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-(naphthalen-2-ylmethyl)-5-propan-2-yl-1,2-dihydropyrazol-3-one
PubChem CID10084285
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name4-(naphthalen-2-ylmethyl)-5-propan-2-yl-1,2-dihydropyrazol-3-one
SMILESCC(C)c1[nH][nH]c(=O)c1Cc1ccc2ccccc2c1
InChIInChI=1S/C17H18N2O/c1-11(2)16-15(17(20)19-18-16)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9,11H,10H2,1-2H3,(H2,18,19,20)
InChIKeyTWLVUFPVMPPXQX-UHFFFAOYSA-N
XLogP3.57
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-2-ylmethyl)-5-propan-2-yl-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-(naphthalen-2-ylmethyl)-5-propan-2-yl-1,2-dihydropyrazol-3-one (CID 10084285) is 4-(naphthalen-2-ylmethyl)-5-propan-2-yl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-(naphthalen-2-ylmethyl)-5-propan-2-yl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-(naphthalen-2-ylmethyl)-5-propan-2-yl-1,2-dihydropyrazol-3-one is CC(C)c1[nH][nH]c(=O)c1Cc1ccc2ccccc2c1.
What is the InChIKey of 4-(naphthalen-2-ylmethyl)-5-propan-2-yl-1,2-dihydropyrazol-3-one?
The InChIKey is TWLVUFPVMPPXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-11(2)16-15(17(20)19-18-16)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9,11H,10H2,1-2H3,(H2,18,19,20).
What are the key properties of 4-(naphthalen-2-ylmethyl)-5-propan-2-yl-1,2-dihydropyrazol-3-one?
4-(naphthalen-2-ylmethyl)-5-propan-2-yl-1,2-dihydropyrazol-3-one has a molecular weight of 266.34 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-2-ylmethyl)-5-propan-2-yl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 10084285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).