N-[(3-fluorophenyl)methyl]-N-methyl-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide

C16H18FN3O2 — CID 129472232

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)c1cn[nH]c1[C@H]1CCOC1
InChIInChI=1S/C16H18FN3O2/c1-20(9-11-3-2-4-13(17)7-11)16(21)14-8-18-19-15(14)12-5-6-22-10-12/h2-4,7-8,12H,5-6,9-10H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyMUIBGPNQTGTFMS-LBPRGKRZSA-N
MW303.34 g/mol
LogP2.32
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-N-methyl-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide

N-[(3-fluorophenyl)methyl]-N-methyl-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 129472232) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
PubChem CID129472232
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)c1cn[nH]c1[C@H]1CCOC1
InChIInChI=1S/C16H18FN3O2/c1-20(9-11-3-2-4-13(17)7-11)16(21)14-8-18-19-15(14)12-5-6-22-10-12/h2-4,7-8,12H,5-6,9-10H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyMUIBGPNQTGTFMS-LBPRGKRZSA-N
XLogP2.32
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-5-[(3R)-oxolan-3-yl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide
CID 129472204
N-(furan-2-ylmethyl)-N-methyl-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129472353
N-methyl-5-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide
CID 128968053
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129477024
N-methyl-5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 129477803
4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 115745141
N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide
CID 70763824
5-cyclopropyl-N-[(3-fluorophenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 25341933
N-[2-(2-fluorophenyl)ethyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129338521
5-[1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 110259110
5-[(3S)-oxolan-3-yl]-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide
CID 129472917
N-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 95805298

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide (CID 129472232) is N-[(3-fluorophenyl)methyl]-N-methyl-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide is CN(Cc1cccc(F)c1)C(=O)c1cn[nH]c1[C@H]1CCOC1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is MUIBGPNQTGTFMS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-20(9-11-3-2-4-13(17)7-11)16(21)14-8-18-19-15(14)12-5-6-22-10-12/h2-4,7-8,12H,5-6,9-10H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide?
N-[(3-fluorophenyl)methyl]-N-methyl-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 129472232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).