N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpyrazole-3-carboxamide

C17H20FN3O2 — CID 71919677

IUPACN-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpyrazole-3-carboxamide
SMILESCC(NC(=O)c1ccnn1C)c1ccc(OCC2CC2)c(F)c1
InChIInChI=1S/C17H20FN3O2/c1-11(20-17(22)15-7-8-19-21(15)2)13-5-6-16(14(18)9-13)23-10-12-3-4-12/h5-9,11-12H,3-4,10H2,1-2H3,(H,20,22)
InChIKeyDSNPDDMMMPUUAR-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.84
Rot. Bonds6

About N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpyrazole-3-carboxamide

N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 71919677) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpyrazole-3-carboxamide
PubChem CID71919677
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC NameN-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpyrazole-3-carboxamide
SMILESCC(NC(=O)c1ccnn1C)c1ccc(OCC2CC2)c(F)c1
InChIInChI=1S/C17H20FN3O2/c1-11(20-17(22)15-7-8-19-21(15)2)13-5-6-16(14(18)9-13)23-10-12-3-4-12/h5-9,11-12H,3-4,10H2,1-2H3,(H,20,22)
InChIKeyDSNPDDMMMPUUAR-UHFFFAOYSA-N
XLogP2.84
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpyrazole-3-carboxamide (CID 71919677) is N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpyrazole-3-carboxamide is CC(NC(=O)c1ccnn1C)c1ccc(OCC2CC2)c(F)c1.
What is the InChIKey of N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is DSNPDDMMMPUUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-11(20-17(22)15-7-8-19-21(15)2)13-5-6-16(14(18)9-13)23-10-12-3-4-12/h5-9,11-12H,3-4,10H2,1-2H3,(H,20,22).
What are the key properties of N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpyrazole-3-carboxamide?
N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 71919677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).