2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide

C23H25FN4O — CID 87018108

IUPAC2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
SMILESO=C(CN(Cc1cccc(F)c1)C1CC1)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C23H25FN4O/c24-20-6-4-5-18(13-20)15-27(21-9-10-21)17-23(29)25-12-11-19-14-26-28(16-19)22-7-2-1-3-8-22/h1-8,13-14,16,21H,9-12,15,17H2,(H,25,29)
InChIKeyXKNXSCGVVBWCHD-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.33
Rot. Bonds9

About 2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide

2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide (PubChem CID 87018108) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
PubChem CID87018108
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
SMILESO=C(CN(Cc1cccc(F)c1)C1CC1)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C23H25FN4O/c24-20-6-4-5-18(13-20)15-27(21-9-10-21)17-23(29)25-12-11-19-14-26-28(16-19)22-7-2-1-3-8-22/h1-8,13-14,16,21H,9-12,15,17H2,(H,25,29)
InChIKeyXKNXSCGVVBWCHD-UHFFFAOYSA-N
XLogP3.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-1-cyclopropyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea
CID 55793583
1-[2-(3-fluorophenyl)ethyl]-2-methyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine
CID 111396071
N-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 87014714
N-ethyl-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 18116117
2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 146122367
2,4-difluoro-N-[4-oxo-4-[2-(1-phenylpyrazol-4-yl)ethylamino]butyl]benzamide
CID 134000738
1-ethyl-3-[2-(3-fluorophenyl)ethyl]-2-[(1-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111394744
1-(4-fluorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
CID 72865599
N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 134000509
2-(3-hydroxypiperidin-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 110884110
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000703
3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide
CID 119700606

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide (CID 87018108) is 2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide is O=C(CN(Cc1cccc(F)c1)C1CC1)NCCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is XKNXSCGVVBWCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c24-20-6-4-5-18(13-20)15-27(21-9-10-21)17-23(29)25-12-11-19-14-26-28(16-19)22-7-2-1-3-8-22/h1-8,13-14,16,21H,9-12,15,17H2,(H,25,29).
What are the key properties of 2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 392.48 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 87018108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).