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

C17H20FN3O — CID 95143367

IUPAC1-(2-fluorophenyl)-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclopropane-1-carboxamide
SMILESCc1cc(C[C@@H](C)NC(=O)C2(c3ccccc3F)CC2)n[nH]1
InChIInChI=1S/C17H20FN3O/c1-11(9-13-10-12(2)20-21-13)19-16(22)17(7-8-17)14-5-3-4-6-15(14)18/h3-6,10-11H,7-9H2,1-2H3,(H,19,22)(H,20,21)/t11-/m1/s1
InChIKeyLNXLIWBGFKPDMT-LLVKDONJSA-N
MW301.37 g/mol
LogP2.64
Rot. Bonds5

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

1-(2-fluorophenyl)-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclopropane-1-carboxamide (PubChem CID 95143367) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclopropane-1-carboxamide
PubChem CID95143367
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name1-(2-fluorophenyl)-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclopropane-1-carboxamide
SMILESCc1cc(C[C@@H](C)NC(=O)C2(c3ccccc3F)CC2)n[nH]1
InChIInChI=1S/C17H20FN3O/c1-11(9-13-10-12(2)20-21-13)19-16(22)17(7-8-17)14-5-3-4-6-15(14)18/h3-6,10-11H,7-9H2,1-2H3,(H,19,22)(H,20,21)/t11-/m1/s1
InChIKeyLNXLIWBGFKPDMT-LLVKDONJSA-N
XLogP2.64
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.64
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-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclopropane-1-carboxamide (CID 95143367) is 1-(2-fluorophenyl)-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclopropane-1-carboxamide is Cc1cc(C[C@@H](C)NC(=O)C2(c3ccccc3F)CC2)n[nH]1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclopropane-1-carboxamide?
The InChIKey is LNXLIWBGFKPDMT-LLVKDONJSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-11(9-13-10-12(2)20-21-13)19-16(22)17(7-8-17)14-5-3-4-6-15(14)18/h3-6,10-11H,7-9H2,1-2H3,(H,19,22)(H,20,21)/t11-/m1/s1.
What are the key properties of 1-(2-fluorophenyl)-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclopropane-1-carboxamide?
1-(2-fluorophenyl)-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclopropane-1-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95143367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).