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

C17H18FN5O2 — CID 50976064

IUPAC5-(3-fluorophenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide
SMILESCOCc1cc(CN(C)C(=O)c2cn[nH]c2-c2cccc(F)c2)[nH]n1
InChIInChI=1S/C17H18FN5O2/c1-23(9-13-7-14(10-25-2)21-20-13)17(24)15-8-19-22-16(15)11-4-3-5-12(18)6-11/h3-8H,9-10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyPCBXWCPQFXUJNH-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.36
Rot. Bonds6

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

5-(3-fluorophenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 50976064) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide
PubChem CID50976064
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC Name5-(3-fluorophenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide
SMILESCOCc1cc(CN(C)C(=O)c2cn[nH]c2-c2cccc(F)c2)[nH]n1
InChIInChI=1S/C17H18FN5O2/c1-23(9-13-7-14(10-25-2)21-20-13)17(24)15-8-19-22-16(15)11-4-3-5-12(18)6-11/h3-8H,9-10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyPCBXWCPQFXUJNH-UHFFFAOYSA-N
XLogP2.36
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methoxymethyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 168291136
3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-N-(1H-pyrazol-5-ylmethyl)pyrazole-4-carboxamide
CID 168294540
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-(3-fluorophenyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 70705128
4-(4-Fluorophenyl)-3-(methoxymethyl)-5-prop-2-enyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 56588774
N-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-4-(3-pyrrolidinyl)benzamide
CID 56907719
N-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-2-(1-oxo-2(1H)-phthalazinyl)acetamide
CID 70780711
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-phenylmorpholin-4-yl)methanone
CID 47021892
3-(3-fluorophenyl)-N-[1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 56712876
1-(2-fluorobenzyl)-N-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
CID 56901280
1-benzyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylpyrazole-4-carboxamide
CID 74250337
(3,4-difluorophenyl)-[3-[5-(1H-pyrazol-5-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 69324820
6-(3-fluorophenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide (CID 50976064) is 5-(3-fluorophenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide is COCc1cc(CN(C)C(=O)c2cn[nH]c2-c2cccc(F)c2)[nH]n1.
What is the InChIKey of 5-(3-fluorophenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is PCBXWCPQFXUJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2/c1-23(9-13-7-14(10-25-2)21-20-13)17(24)15-8-19-22-16(15)11-4-3-5-12(18)6-11/h3-8H,9-10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 5-(3-fluorophenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide?
5-(3-fluorophenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 50976064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).