3-(2-fluorophenyl)-N-(morpholin-2-ylmethyl)-1H-pyrazole-5-carboxamide

C15H17FN4O2 — CID 167869800

IUPAC3-(2-fluorophenyl)-N-(morpholin-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCC1CNCCO1)c1cc(-c2ccccc2F)n[nH]1
InChIInChI=1S/C15H17FN4O2/c16-12-4-2-1-3-11(12)13-7-14(20-19-13)15(21)18-9-10-8-17-5-6-22-10/h1-4,7,10,17H,5-6,8-9H2,(H,18,21)(H,19,20)
InChIKeyKKNIKIPJIRYAQP-UHFFFAOYSA-N
MW304.32 g/mol
LogP0.93
Rot. Bonds4

About 3-(2-fluorophenyl)-N-(morpholin-2-ylmethyl)-1H-pyrazole-5-carboxamide

3-(2-fluorophenyl)-N-(morpholin-2-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 167869800) has the molecular formula C15H17FN4O2 and a molecular weight of 304.32 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(morpholin-2-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(morpholin-2-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID167869800
Molecular FormulaC15H17FN4O2
Molecular Weight304.32 g/mol
Exact Mass304.13
IUPAC Name3-(2-fluorophenyl)-N-(morpholin-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCC1CNCCO1)c1cc(-c2ccccc2F)n[nH]1
InChIInChI=1S/C15H17FN4O2/c16-12-4-2-1-3-11(12)13-7-14(20-19-13)15(21)18-9-10-8-17-5-6-22-10/h1-4,7,10,17H,5-6,8-9H2,(H,18,21)(H,19,20)
InChIKeyKKNIKIPJIRYAQP-UHFFFAOYSA-N
XLogP0.93
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,1-dioxothian-4-yl)methyl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 118763156
N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-morpholin-2-yl]acetamide
CID 125179473
5-chloro-2-hydroxy-N-(morpholin-2-ylmethyl)benzamide
CID 115323836
3-fluoro-4-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 43603078
2-bromo-5-fluoro-N-(morpholin-2-ylmethyl)benzamide
CID 113287115
5-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzamide
CID 113287101
N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]morpholine-2-carboxamide
CID 110082569
4-chloro-2,5-difluoro-N-(morpholin-2-ylmethyl)benzamide
CID 82772508
N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 50985207
2-(difluoromethoxy)-N-(morpholin-2-ylmethyl)benzamide
CID 43602974
3-(2-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 70729452
5-chloro-2-fluoro-N-(2-morpholin-2-ylethyl)benzamide
CID 117044843

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(morpholin-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-N-(morpholin-2-ylmethyl)-1H-pyrazole-5-carboxamide (CID 167869800) is 3-(2-fluorophenyl)-N-(morpholin-2-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(morpholin-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-(morpholin-2-ylmethyl)-1H-pyrazole-5-carboxamide is O=C(NCC1CNCCO1)c1cc(-c2ccccc2F)n[nH]1.
What is the InChIKey of 3-(2-fluorophenyl)-N-(morpholin-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is KKNIKIPJIRYAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c16-12-4-2-1-3-11(12)13-7-14(20-19-13)15(21)18-9-10-8-17-5-6-22-10/h1-4,7,10,17H,5-6,8-9H2,(H,18,21)(H,19,20).
What are the key properties of 3-(2-fluorophenyl)-N-(morpholin-2-ylmethyl)-1H-pyrazole-5-carboxamide?
3-(2-fluorophenyl)-N-(morpholin-2-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(morpholin-2-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 167869800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).