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

C14H15FN4O2 — CID 110082569

IUPACN-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]morpholine-2-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2F)[nH]n1)C1CNCCO1
InChIInChI=1S/C14H15FN4O2/c15-10-4-2-1-3-9(10)11-7-13(19-18-11)17-14(20)12-8-16-5-6-21-12/h1-4,7,12,16H,5-6,8H2,(H2,17,18,19,20)
InChIKeyCYELPCCMTPIIEQ-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.14
Rot. Bonds3

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

N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]morpholine-2-carboxamide (PubChem CID 110082569) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]morpholine-2-carboxamide
PubChem CID110082569
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC NameN-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]morpholine-2-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2F)[nH]n1)C1CNCCO1
InChIInChI=1S/C14H15FN4O2/c15-10-4-2-1-3-9(10)11-7-13(19-18-11)17-14(20)12-8-16-5-6-21-12/h1-4,7,12,16H,5-6,8H2,(H2,17,18,19,20)
InChIKeyCYELPCCMTPIIEQ-UHFFFAOYSA-N
XLogP1.14
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]morpholine-2-carboxamide?
The IUPAC name of N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]morpholine-2-carboxamide (CID 110082569) is N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]morpholine-2-carboxamide.
What is the SMILES notation for N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]morpholine-2-carboxamide?
The canonical SMILES for N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]morpholine-2-carboxamide is O=C(Nc1cc(-c2ccccc2F)[nH]n1)C1CNCCO1.
What is the InChIKey of N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]morpholine-2-carboxamide?
The InChIKey is CYELPCCMTPIIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c15-10-4-2-1-3-9(10)11-7-13(19-18-11)17-14(20)12-8-16-5-6-21-12/h1-4,7,12,16H,5-6,8H2,(H2,17,18,19,20).
What are the key properties of N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]morpholine-2-carboxamide?
N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]morpholine-2-carboxamide has a molecular weight of 290.30 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]morpholine-2-carboxamide is sourced from PubChem (CID 110082569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).