5-amino-1-[6-(2-fluorophenoxy)pyrimidin-4-yl]-3-methylpyrazole-4-carboxamide

C15H13FN6O2 — CID 18552693

IUPAC5-amino-1-[6-(2-fluorophenoxy)pyrimidin-4-yl]-3-methylpyrazole-4-carboxamide
SMILESCc1nn(-c2cc(Oc3ccccc3F)ncn2)c(N)c1C(N)=O
InChIInChI=1S/C15H13FN6O2/c1-8-13(15(18)23)14(17)22(21-8)11-6-12(20-7-19-11)24-10-5-3-2-4-9(10)16/h2-7H,17H2,1H3,(H2,18,23)
InChIKeyGZTZKJFCLZNZKQ-UHFFFAOYSA-N
MW328.31 g/mol
LogP1.58
Rot. Bonds4

About 5-amino-1-[6-(2-fluorophenoxy)pyrimidin-4-yl]-3-methylpyrazole-4-carboxamide

5-amino-1-[6-(2-fluorophenoxy)pyrimidin-4-yl]-3-methylpyrazole-4-carboxamide (PubChem CID 18552693) has the molecular formula C15H13FN6O2 and a molecular weight of 328.31 g/mol. Its IUPAC name is 5-amino-1-[6-(2-fluorophenoxy)pyrimidin-4-yl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[6-(2-fluorophenoxy)pyrimidin-4-yl]-3-methylpyrazole-4-carboxamide
PubChem CID18552693
Molecular FormulaC15H13FN6O2
Molecular Weight328.31 g/mol
Exact Mass328.11
IUPAC Name5-amino-1-[6-(2-fluorophenoxy)pyrimidin-4-yl]-3-methylpyrazole-4-carboxamide
SMILESCc1nn(-c2cc(Oc3ccccc3F)ncn2)c(N)c1C(N)=O
InChIInChI=1S/C15H13FN6O2/c1-8-13(15(18)23)14(17)22(21-8)11-6-12(20-7-19-11)24-10-5-3-2-4-9(10)16/h2-7H,17H2,1H3,(H2,18,23)
InChIKeyGZTZKJFCLZNZKQ-UHFFFAOYSA-N
XLogP1.58
TPSA121.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-1-(6-methoxy-2-phenylpyrimidin-4-yl)-3-methylpyrazole-4-carboxamide
CID 171989037
4-(2-fluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidine
CID 24715570
4-(2-fluorophenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine
CID 83288340
[(2S)-4-[6-(2-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 93296936
4-(2-fluorophenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine
CID 83289222
5-amino-1-(2-fluorophenyl)-3-methylpyrazole-4-carboxylic acid
CID 71044411
1-[(2R)-4-[6-(2-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]butan-1-one
CID 93296512
5-fluoro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 121222038
(2,4-dichlorophenyl)-[4-[6-(2-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]methanone
CID 83281287
1-[(2R)-4-[6-(2-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-2-phenylmethoxyethanone
CID 93296736
5-amino-3-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 135371375
4-(2,4-difluorophenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidine
CID 91633841

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[6-(2-fluorophenoxy)pyrimidin-4-yl]-3-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-[6-(2-fluorophenoxy)pyrimidin-4-yl]-3-methylpyrazole-4-carboxamide (CID 18552693) is 5-amino-1-[6-(2-fluorophenoxy)pyrimidin-4-yl]-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[6-(2-fluorophenoxy)pyrimidin-4-yl]-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[6-(2-fluorophenoxy)pyrimidin-4-yl]-3-methylpyrazole-4-carboxamide is Cc1nn(-c2cc(Oc3ccccc3F)ncn2)c(N)c1C(N)=O.
What is the InChIKey of 5-amino-1-[6-(2-fluorophenoxy)pyrimidin-4-yl]-3-methylpyrazole-4-carboxamide?
The InChIKey is GZTZKJFCLZNZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN6O2/c1-8-13(15(18)23)14(17)22(21-8)11-6-12(20-7-19-11)24-10-5-3-2-4-9(10)16/h2-7H,17H2,1H3,(H2,18,23).
What are the key properties of 5-amino-1-[6-(2-fluorophenoxy)pyrimidin-4-yl]-3-methylpyrazole-4-carboxamide?
5-amino-1-[6-(2-fluorophenoxy)pyrimidin-4-yl]-3-methylpyrazole-4-carboxamide has a molecular weight of 328.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[6-(2-fluorophenoxy)pyrimidin-4-yl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 18552693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).