N-[(2R)-2,3-dihydroxypropyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide

C15H18FN3O4 — CID 95559001

IUPACN-[(2R)-2,3-dihydroxypropyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
SMILESCN(C[C@@H](O)CO)C(=O)c1cc(COc2cccc(F)c2)[nH]n1
InChIInChI=1S/C15H18FN3O4/c1-19(7-12(21)8-20)15(22)14-6-11(17-18-14)9-23-13-4-2-3-10(16)5-13/h2-6,12,20-21H,7-9H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyQWDXXJHDAMTPCO-GFCCVEGCSA-N
MW323.32 g/mol
LogP0.55
Rot. Bonds7

About N-[(2R)-2,3-dihydroxypropyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide

N-[(2R)-2,3-dihydroxypropyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide (PubChem CID 95559001) has the molecular formula C15H18FN3O4 and a molecular weight of 323.32 g/mol. Its IUPAC name is N-[(2R)-2,3-dihydroxypropyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2,3-dihydroxypropyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
PubChem CID95559001
Molecular FormulaC15H18FN3O4
Molecular Weight323.32 g/mol
Exact Mass323.13
IUPAC NameN-[(2R)-2,3-dihydroxypropyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
SMILESCN(C[C@@H](O)CO)C(=O)c1cc(COc2cccc(F)c2)[nH]n1
InChIInChI=1S/C15H18FN3O4/c1-19(7-12(21)8-20)15(22)14-6-11(17-18-14)9-23-13-4-2-3-10(16)5-13/h2-6,12,20-21H,7-9H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyQWDXXJHDAMTPCO-GFCCVEGCSA-N
XLogP0.55
TPSA98.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-aminopyrimidin-5-yl)methyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 56757672
5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazole-3-carboxamide
CID 56747947
N-ethyl-5-[(3-fluorophenoxy)methyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrazole-3-carboxamide
CID 56750390
5-[(3-fluorophenoxy)methyl]-N-[1-(1H-imidazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 56751025
N-[(2,3-dimethylphenyl)methyl]-5-[(3-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56755562
N-[(2R)-2,3-dihydroxypropyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide
CID 95226209
N-ethyl-5-[(3-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 42595611
5-[(3-fluorophenoxy)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-3-carboxamide
CID 56739083
5-[(3-fluorophenoxy)methyl]-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 95219629
N-[(2R)-butan-2-yl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 95207016
5-[(3-fluorophenoxy)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 56753574
5-[(3-methoxyphenoxy)methyl]-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 95191517

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2,3-dihydroxypropyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(2R)-2,3-dihydroxypropyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide (CID 95559001) is N-[(2R)-2,3-dihydroxypropyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-2,3-dihydroxypropyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(2R)-2,3-dihydroxypropyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide is CN(C[C@@H](O)CO)C(=O)c1cc(COc2cccc(F)c2)[nH]n1.
What is the InChIKey of N-[(2R)-2,3-dihydroxypropyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is QWDXXJHDAMTPCO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18FN3O4/c1-19(7-12(21)8-20)15(22)14-6-11(17-18-14)9-23-13-4-2-3-10(16)5-13/h2-6,12,20-21H,7-9H2,1H3,(H,17,18)/t12-/m1/s1.
What are the key properties of N-[(2R)-2,3-dihydroxypropyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
N-[(2R)-2,3-dihydroxypropyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 323.32 g/mol, XLogP of 0.55, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2,3-dihydroxypropyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 95559001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).