N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-2-yl)methyl]propan-2-amine

C26H36FN5O — CID 42878070

IUPACN-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-2-yl)methyl]propan-2-amine
SMILESCCc1nn(-c2ccc(F)cc2)c(N2CCN(C)CC2)c1CN(Cc1ccc(C)o1)C(C)C
InChIInChI=1S/C26H36FN5O/c1-6-25-24(18-31(19(2)3)17-23-12-7-20(4)33-23)26(30-15-13-29(5)14-16-30)32(28-25)22-10-8-21(27)9-11-22/h7-12,19H,6,13-18H2,1-5H3
InChIKeyNBPOCZMEFQVGTK-UHFFFAOYSA-N
MW453.61 g/mol
LogP4.64
Rot. Bonds8

About N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-2-yl)methyl]propan-2-amine

N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-2-yl)methyl]propan-2-amine (PubChem CID 42878070) has the molecular formula C26H36FN5O and a molecular weight of 453.61 g/mol. Its IUPAC name is N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-2-yl)methyl]propan-2-amine
PubChem CID42878070
Molecular FormulaC26H36FN5O
Molecular Weight453.61 g/mol
Exact Mass453.29
IUPAC NameN-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-2-yl)methyl]propan-2-amine
SMILESCCc1nn(-c2ccc(F)cc2)c(N2CCN(C)CC2)c1CN(Cc1ccc(C)o1)C(C)C
InChIInChI=1S/C26H36FN5O/c1-6-25-24(18-31(19(2)3)17-23-12-7-20(4)33-23)26(30-15-13-29(5)14-16-30)32(28-25)22-10-8-21(27)9-11-22/h7-12,19H,6,13-18H2,1-5H3
InChIKeyNBPOCZMEFQVGTK-UHFFFAOYSA-N
XLogP4.64
TPSA40.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-2-yl)methyl]propan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-{4-{[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]methyl}-1-[(5-methyl-2-furyl)methyl]-2-piperazinyl}ethanol
CID 16189790
3-tert-Butyl-5-{[(furan-2-ylmethyl)-amino]-methyl}-1-phenyl-1,7-dihydro-pyrazolo[3,4-b]pyridin-6-one
CID 135450638
1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 47052518
2-methyl-4-[(5-methylfuran-2-yl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
CID 134808234
2-[3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(furan-2-ylmethyl)acetamide
CID 20944165
(E)-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-phenylprop-2-enamide
CID 1056796
N-(1,3-Diphenyl-1H-pyrazol-5-YL)-2-[1-(3-fluorophenyl)-N-[(furan-2-YL)methyl]formamido]acetamide
CID 1060752
Ethyl 3-[({[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-YL]carbamoyl}methyl)[(furan-2-YL)methyl]carbamoyl]propanoate
CID 4304446
1-(2-Fluorophenyl)-4-[2-(furan-2-YL)-5-methyl-[1,2,4]triazolo[1,5-A]pyrimidin-7-YL]piperazine
CID 20961739
1-(4-Fluorophenyl)-4-[2-(furan-2-YL)-5-methyl-[1,2,4]triazolo[1,5-A]pyrimidin-7-YL]piperazine
CID 20961777
1-[4-(2,5-Dimethyl-1H-pyrrol-1-YL)-3-methyl-1-phenyl-1H-pyrazol-5-YL]-N-[(5-methylfuran-2-YL)methyl]piperidine-4-carboxamide
CID 22581096
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 36133237

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-2-yl)methyl]propan-2-amine (CID 42878070) is N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-2-yl)methyl]propan-2-amine is CCc1nn(-c2ccc(F)cc2)c(N2CCN(C)CC2)c1CN(Cc1ccc(C)o1)C(C)C.
What is the InChIKey of N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-2-yl)methyl]propan-2-amine?
The InChIKey is NBPOCZMEFQVGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36FN5O/c1-6-25-24(18-31(19(2)3)17-23-12-7-20(4)33-23)26(30-15-13-29(5)14-16-30)32(28-25)22-10-8-21(27)9-11-22/h7-12,19H,6,13-18H2,1-5H3.
What are the key properties of N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-2-yl)methyl]propan-2-amine?
N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-2-yl)methyl]propan-2-amine has a molecular weight of 453.61 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-[(5-methylfuran-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 42878070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).