1-(2-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]cyclopropane-1-carboxamide

C15H16FN3O — CID 110245229

IUPAC1-(2-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1cc(CNC(=O)C2(c3ccccc3F)CC2)n[nH]1
InChIInChI=1S/C15H16FN3O/c1-10-8-11(19-18-10)9-17-14(20)15(6-7-15)12-4-2-3-5-13(12)16/h2-5,8H,6-7,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyURSLAKLHUWNOAA-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.21
Rot. Bonds4

About 1-(2-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]cyclopropane-1-carboxamide

1-(2-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 110245229) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]cyclopropane-1-carboxamide
PubChem CID110245229
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name1-(2-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1cc(CNC(=O)C2(c3ccccc3F)CC2)n[nH]1
InChIInChI=1S/C15H16FN3O/c1-10-8-11(19-18-10)9-17-14(20)15(6-7-15)12-4-2-3-5-13(12)16/h2-5,8H,6-7,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyURSLAKLHUWNOAA-UHFFFAOYSA-N
XLogP2.21
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]cyclopropane-1-carboxamide (CID 110245229) is 1-(2-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]cyclopropane-1-carboxamide is Cc1cc(CNC(=O)C2(c3ccccc3F)CC2)n[nH]1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is URSLAKLHUWNOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-10-8-11(19-18-10)9-17-14(20)15(6-7-15)12-4-2-3-5-13(12)16/h2-5,8H,6-7,9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 1-(2-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]cyclopropane-1-carboxamide?
1-(2-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 273.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 110245229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).