5-[(2,4-difluorophenoxy)methyl]-N-[(3R)-2-oxopiperidin-3-yl]-1H-pyrazole-3-carboxamide

C16H16F2N4O3 — CID 95223634

IUPAC5-[(2,4-difluorophenoxy)methyl]-N-[(3R)-2-oxopiperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(N[C@@H]1CCCNC1=O)c1cc(COc2ccc(F)cc2F)[nH]n1
InChIInChI=1S/C16H16F2N4O3/c17-9-3-4-14(11(18)6-9)25-8-10-7-13(22-21-10)16(24)20-12-2-1-5-19-15(12)23/h3-4,6-7,12H,1-2,5,8H2,(H,19,23)(H,20,24)(H,21,22)/t12-/m1/s1
InChIKeyHLNGRAMPDFQDNL-GFCCVEGCSA-N
MW350.33 g/mol
LogP1.28
Rot. Bonds5

About 5-[(2,4-difluorophenoxy)methyl]-N-[(3R)-2-oxopiperidin-3-yl]-1H-pyrazole-3-carboxamide

5-[(2,4-difluorophenoxy)methyl]-N-[(3R)-2-oxopiperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 95223634) has the molecular formula C16H16F2N4O3 and a molecular weight of 350.33 g/mol. Its IUPAC name is 5-[(2,4-difluorophenoxy)methyl]-N-[(3R)-2-oxopiperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,4-difluorophenoxy)methyl]-N-[(3R)-2-oxopiperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID95223634
Molecular FormulaC16H16F2N4O3
Molecular Weight350.33 g/mol
Exact Mass350.12
IUPAC Name5-[(2,4-difluorophenoxy)methyl]-N-[(3R)-2-oxopiperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(N[C@@H]1CCCNC1=O)c1cc(COc2ccc(F)cc2F)[nH]n1
InChIInChI=1S/C16H16F2N4O3/c17-9-3-4-14(11(18)6-9)25-8-10-7-13(22-21-10)16(24)20-12-2-1-5-19-15(12)23/h3-4,6-7,12H,1-2,5,8H2,(H,19,23)(H,20,24)(H,21,22)/t12-/m1/s1
InChIKeyHLNGRAMPDFQDNL-GFCCVEGCSA-N
XLogP1.28
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(3R)-2-oxopyrrolidin-3-yl]-1H-pyrazole-3-carboxamide
CID 95199427
2-[(2-chloro-4-fluorophenoxy)methyl]-N-[(3S)-2-oxopiperidin-3-yl]-1,3-oxazole-4-carboxamide
CID 95202945
5-[(2,4-difluorophenoxy)methyl]-N-(pyrimidin-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 42519546
methyl 1-[5-[(2,4-difluorophenoxy)methyl]-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate
CID 42290209
5-(2,4-difluorophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-1H-indazole-6-carboxamide
CID 163626319
5-[(2,4-difluorophenoxy)methyl]-N-[1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-3-carboxamide
CID 56750778
2-[(4-fluorophenoxy)methyl]-N-[(3S)-2-oxoazepan-3-yl]-1,3-oxazole-4-carboxamide
CID 42216036
5-[(2-fluorophenoxy)methyl]-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide
CID 56747841
2-[(4-fluorophenoxy)methyl]-6-oxo-N-[(3S)-2-oxopiperidin-3-yl]-1H-pyrimidine-5-carboxamide
CID 97136842
2-[(4-fluorophenoxy)methyl]-6-oxo-N-(2-oxopiperidin-3-yl)-1H-pyrimidine-5-carboxamide
CID 70753750
5-[(2-fluorophenoxy)methyl]-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
CID 56757095
N-(2-oxopiperidin-3-yl)-4-(propylamino)pyridine-2-carboxamide
CID 62180055

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenoxy)methyl]-N-[(3R)-2-oxopiperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(2,4-difluorophenoxy)methyl]-N-[(3R)-2-oxopiperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 95223634) is 5-[(2,4-difluorophenoxy)methyl]-N-[(3R)-2-oxopiperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2,4-difluorophenoxy)methyl]-N-[(3R)-2-oxopiperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(2,4-difluorophenoxy)methyl]-N-[(3R)-2-oxopiperidin-3-yl]-1H-pyrazole-3-carboxamide is O=C(N[C@@H]1CCCNC1=O)c1cc(COc2ccc(F)cc2F)[nH]n1.
What is the InChIKey of 5-[(2,4-difluorophenoxy)methyl]-N-[(3R)-2-oxopiperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is HLNGRAMPDFQDNL-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16F2N4O3/c17-9-3-4-14(11(18)6-9)25-8-10-7-13(22-21-10)16(24)20-12-2-1-5-19-15(12)23/h3-4,6-7,12H,1-2,5,8H2,(H,19,23)(H,20,24)(H,21,22)/t12-/m1/s1.
What are the key properties of 5-[(2,4-difluorophenoxy)methyl]-N-[(3R)-2-oxopiperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-[(2,4-difluorophenoxy)methyl]-N-[(3R)-2-oxopiperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 350.33 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenoxy)methyl]-N-[(3R)-2-oxopiperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 95223634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).