N-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-phenoxyacetamide

C28H34FN5O2 — CID 46080723

IUPACN-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-phenoxyacetamide
SMILESCCN1CCN(c2c(CN(C(=O)COc3ccccc3)C3CC3)c(C)nn2-c2cccc(F)c2)CC1
InChIInChI=1S/C28H34FN5O2/c1-3-31-14-16-32(17-15-31)28-26(21(2)30-34(28)24-9-7-8-22(29)18-24)19-33(23-12-13-23)27(35)20-36-25-10-5-4-6-11-25/h4-11,18,23H,3,12-17,19-20H2,1-2H3
InChIKeyXZRXFJBFZQYEAK-UHFFFAOYSA-N
MW491.61 g/mol
LogP4.03
Rot. Bonds9

About N-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-phenoxyacetamide

N-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-phenoxyacetamide (PubChem CID 46080723) has the molecular formula C28H34FN5O2 and a molecular weight of 491.61 g/mol. Its IUPAC name is N-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-phenoxyacetamide
PubChem CID46080723
Molecular FormulaC28H34FN5O2
Molecular Weight491.61 g/mol
Exact Mass491.27
IUPAC NameN-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-phenoxyacetamide
SMILESCCN1CCN(c2c(CN(C(=O)COc3ccccc3)C3CC3)c(C)nn2-c2cccc(F)c2)CC1
InChIInChI=1S/C28H34FN5O2/c1-3-31-14-16-32(17-15-31)28-26(21(2)30-34(28)24-9-7-8-22(29)18-24)19-33(23-12-13-23)27(35)20-36-25-10-5-4-6-11-25/h4-11,18,23H,3,12-17,19-20H2,1-2H3
InChIKeyXZRXFJBFZQYEAK-UHFFFAOYSA-N
XLogP4.03
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-phenoxyacetamide with MolForge

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Related Compounds

(2S)-24-(azetidin-1-yl)-11-fluoro-18,21-dimethyl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione
CID 154969863
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CID 16030752
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1-[2-(phenoxymethyl)-5-phenyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
CID 122195727
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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-phenoxyacetamide?
The IUPAC name of N-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-phenoxyacetamide (CID 46080723) is N-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-phenoxyacetamide?
The canonical SMILES for N-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-phenoxyacetamide is CCN1CCN(c2c(CN(C(=O)COc3ccccc3)C3CC3)c(C)nn2-c2cccc(F)c2)CC1.
What is the InChIKey of N-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-phenoxyacetamide?
The InChIKey is XZRXFJBFZQYEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN5O2/c1-3-31-14-16-32(17-15-31)28-26(21(2)30-34(28)24-9-7-8-22(29)18-24)19-33(23-12-13-23)27(35)20-36-25-10-5-4-6-11-25/h4-11,18,23H,3,12-17,19-20H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-phenoxyacetamide?
N-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-phenoxyacetamide has a molecular weight of 491.61 g/mol, XLogP of 4.03, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-phenoxyacetamide is sourced from PubChem (CID 46080723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).