N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide

C16H14FN5O3 — CID 122303009

IUPACN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1cnc(Oc2ccccc2F)nc1
InChIInChI=1S/C16H14FN5O3/c1-22-9-11(15(21-22)24-2)14(23)20-10-7-18-16(19-8-10)25-13-6-4-3-5-12(13)17/h3-9H,1-2H3,(H,20,23)
InChIKeyHJMSKNFXPSFGIG-UHFFFAOYSA-N
MW343.32 g/mol
LogP2.40
Rot. Bonds5

About N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide

N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 122303009) has the molecular formula C16H14FN5O3 and a molecular weight of 343.32 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID122303009
Molecular FormulaC16H14FN5O3
Molecular Weight343.32 g/mol
Exact Mass343.11
IUPAC NameN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1cnc(Oc2ccccc2F)nc1
InChIInChI=1S/C16H14FN5O3/c1-22-9-11(15(21-22)24-2)14(23)20-10-7-18-16(19-8-10)25-13-6-4-3-5-12(13)17/h3-9H,1-2H3,(H,20,23)
InChIKeyHJMSKNFXPSFGIG-UHFFFAOYSA-N
XLogP2.40
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-methoxypyridine-3-carboxamide
CID 122303080
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-iodobenzamide
CID 122303200
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3,4-dimethoxybenzamide
CID 91968353
4-acetyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide
CID 122303112
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 122302986
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]pyridine-4-carboxamide
CID 91968386
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-8-methoxy-2-oxochromene-3-carboxamide
CID 122302958
1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-phenylurea
CID 71799859
3-methoxy-N-[4-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 121079820
1-(3,4-dimethoxyphenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
CID 122303190
3-methoxy-N-[4-[(2-methoxyphenyl)methylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 121079815
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122303083

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide (CID 122303009) is N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide is COc1nn(C)cc1C(=O)Nc1cnc(Oc2ccccc2F)nc1.
What is the InChIKey of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is HJMSKNFXPSFGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O3/c1-22-9-11(15(21-22)24-2)14(23)20-10-7-18-16(19-8-10)25-13-6-4-3-5-12(13)17/h3-9H,1-2H3,(H,20,23).
What are the key properties of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide?
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 343.32 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 122303009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).