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

C26H38FN5O2 — CID 46079291

IUPACN-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
SMILESCCN1CCN(c2c(CN(CCOC)C(=O)C3CCCC3)c(C)nn2-c2cccc(F)c2)CC1
InChIInChI=1S/C26H38FN5O2/c1-4-29-12-14-30(15-13-29)25-24(20(2)28-32(25)23-11-7-10-22(27)18-23)19-31(16-17-34-3)26(33)21-8-5-6-9-21/h7,10-11,18,21H,4-6,8-9,12-17,19H2,1-3H3
InChIKeyVFDLBMIBDLHAQS-UHFFFAOYSA-N
MW471.62 g/mol
LogP3.63
Rot. Bonds9

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

N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopentanecarboxamide (PubChem CID 46079291) has the molecular formula C26H38FN5O2 and a molecular weight of 471.62 g/mol. Its IUPAC name is N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
PubChem CID46079291
Molecular FormulaC26H38FN5O2
Molecular Weight471.62 g/mol
Exact Mass471.30
IUPAC NameN-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
SMILESCCN1CCN(c2c(CN(CCOC)C(=O)C3CCCC3)c(C)nn2-c2cccc(F)c2)CC1
InChIInChI=1S/C26H38FN5O2/c1-4-29-12-14-30(15-13-29)25-24(20(2)28-32(25)23-11-7-10-22(27)18-23)19-31(16-17-34-3)26(33)21-8-5-6-9-21/h7,10-11,18,21H,4-6,8-9,12-17,19H2,1-3H3
InChIKeyVFDLBMIBDLHAQS-UHFFFAOYSA-N
XLogP3.63
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.62
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopentanecarboxamide?
The IUPAC name of N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopentanecarboxamide (CID 46079291) is N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopentanecarboxamide.
What is the SMILES notation for N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopentanecarboxamide?
The canonical SMILES for N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopentanecarboxamide is CCN1CCN(c2c(CN(CCOC)C(=O)C3CCCC3)c(C)nn2-c2cccc(F)c2)CC1.
What is the InChIKey of N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopentanecarboxamide?
The InChIKey is VFDLBMIBDLHAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38FN5O2/c1-4-29-12-14-30(15-13-29)25-24(20(2)28-32(25)23-11-7-10-22(27)18-23)19-31(16-17-34-3)26(33)21-8-5-6-9-21/h7,10-11,18,21H,4-6,8-9,12-17,19H2,1-3H3.
What are the key properties of N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopentanecarboxamide?
N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopentanecarboxamide has a molecular weight of 471.62 g/mol, XLogP of 3.63, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopentanecarboxamide is sourced from PubChem (CID 46079291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).