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

C24H34FN5O2 — CID 46079282

IUPACN-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide
SMILESCCN1CCN(c2c(CN(CCOC)C(=O)C3CC3)c(C)nn2-c2cccc(F)c2)CC1
InChIInChI=1S/C24H34FN5O2/c1-4-27-10-12-28(13-11-27)23-22(17-29(14-15-32-3)24(31)19-8-9-19)18(2)26-30(23)21-7-5-6-20(25)16-21/h5-7,16,19H,4,8-15,17H2,1-3H3
InChIKeyTWHKOFPCSZJLQK-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.85
Rot. Bonds9

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

N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide (PubChem CID 46079282) has the molecular formula C24H34FN5O2 and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide
PubChem CID46079282
Molecular FormulaC24H34FN5O2
Molecular Weight443.57 g/mol
Exact Mass443.27
IUPAC NameN-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide
SMILESCCN1CCN(c2c(CN(CCOC)C(=O)C3CC3)c(C)nn2-c2cccc(F)c2)CC1
InChIInChI=1S/C24H34FN5O2/c1-4-27-10-12-28(13-11-27)23-22(17-29(14-15-32-3)24(31)19-8-9-19)18(2)26-30(23)21-7-5-6-20(25)16-21/h5-7,16,19H,4,8-15,17H2,1-3H3
InChIKeyTWHKOFPCSZJLQK-UHFFFAOYSA-N
XLogP2.85
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.85
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)cyclopropanecarboxamide?
The IUPAC name of N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide (CID 46079282) is N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide.
What is the SMILES notation for N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide?
The canonical SMILES for N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide is CCN1CCN(c2c(CN(CCOC)C(=O)C3CC3)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)cyclopropanecarboxamide?
The InChIKey is TWHKOFPCSZJLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN5O2/c1-4-27-10-12-28(13-11-27)23-22(17-29(14-15-32-3)24(31)19-8-9-19)18(2)26-30(23)21-7-5-6-20(25)16-21/h5-7,16,19H,4,8-15,17H2,1-3H3.
What are the key properties of N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide?
N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide has a molecular weight of 443.57 g/mol, XLogP of 2.85, 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)cyclopropanecarboxamide is sourced from PubChem (CID 46079282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).