N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-(4-methylphenyl)acetamide

C21H27N3O2 — CID 146073467

IUPACN-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCCc2nn(CC3CC3)c3c2COCC3)cc1
InChIInChI=1S/C21H27N3O2/c1-15-2-4-16(5-3-15)12-21(25)22-10-8-19-18-14-26-11-9-20(18)24(23-19)13-17-6-7-17/h2-5,17H,6-14H2,1H3,(H,22,25)
InChIKeyIMZUSIIVMSHDFJ-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.58
Rot. Bonds7

About N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-(4-methylphenyl)acetamide

N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-(4-methylphenyl)acetamide (PubChem CID 146073467) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-(4-methylphenyl)acetamide
PubChem CID146073467
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCCc2nn(CC3CC3)c3c2COCC3)cc1
InChIInChI=1S/C21H27N3O2/c1-15-2-4-16(5-3-15)12-21(25)22-10-8-19-18-14-26-11-9-20(18)24(23-19)13-17-6-7-17/h2-5,17H,6-14H2,1H3,(H,22,25)
InChIKeyIMZUSIIVMSHDFJ-UHFFFAOYSA-N
XLogP2.58
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-(4-methylphenyl)acetamide (CID 146073467) is N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NCCc2nn(CC3CC3)c3c2COCC3)cc1.
What is the InChIKey of N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-(4-methylphenyl)acetamide?
The InChIKey is IMZUSIIVMSHDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15-2-4-16(5-3-15)12-21(25)22-10-8-19-18-14-26-11-9-20(18)24(23-19)13-17-6-7-17/h2-5,17H,6-14H2,1H3,(H,22,25).
What are the key properties of N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-(4-methylphenyl)acetamide?
N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-(4-methylphenyl)acetamide has a molecular weight of 353.47 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 146073467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).