4-(4-fluoropyrazol-1-yl)-6-methylpyrimidine

C8H7FN4 — CID 144775187

IUPAC4-(4-fluoropyrazol-1-yl)-6-methylpyrimidine
SMILESCc1cc(-n2cc(F)cn2)ncn1
InChIInChI=1S/C8H7FN4/c1-6-2-8(11-5-10-6)13-4-7(9)3-12-13/h2-5H,1H3
InChIKeyYGUPKFBRYSXOCK-UHFFFAOYSA-N
MW178.17 g/mol
LogP1.11
Rot. Bonds1

About 4-(4-fluoropyrazol-1-yl)-6-methylpyrimidine

4-(4-fluoropyrazol-1-yl)-6-methylpyrimidine (PubChem CID 144775187) has the molecular formula C8H7FN4 and a molecular weight of 178.17 g/mol. Its IUPAC name is 4-(4-fluoropyrazol-1-yl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-(4-fluoropyrazol-1-yl)-6-methylpyrimidine
PubChem CID144775187
Molecular FormulaC8H7FN4
Molecular Weight178.17 g/mol
Exact Mass178.07
IUPAC Name4-(4-fluoropyrazol-1-yl)-6-methylpyrimidine
SMILESCc1cc(-n2cc(F)cn2)ncn1
InChIInChI=1S/C8H7FN4/c1-6-2-8(11-5-10-6)13-4-7(9)3-12-13/h2-5H,1H3
InChIKeyYGUPKFBRYSXOCK-UHFFFAOYSA-N
XLogP1.11
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-6-(4-methylpyrazol-1-yl)pyrimidine
CID 115417252
4-(4-fluoropyrazol-1-yl)-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidine
CID 176626406
N-(2-methoxyethyl)-3-[1-(6-methylpyrimidin-4-yl)pyrazol-4-yl]propan-1-amine
CID 62718601
ethane;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine
CID 145307256
1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;dihydrochloride
CID 146157882
5-(5-fluoropyrimidin-2-yl)-2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126931694
2-ethynyl-5-(4-fluoropyrazol-1-yl)pyrazine
CID 122487501
2-chloro-4-(4-fluoropyrazol-1-yl)pyrimidine
CID 168867295
N-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80868893
5-fluoro-2-(4-fluoropyrazol-1-yl)-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyridine
CID 176625960
4-(4-fluoropyrazol-1-yl)-2-methylquinoline
CID 141419462
N-[(E)-(3-fluorophenyl)methylideneamino]-6-(4-methylpyrazol-1-yl)pyrimidin-4-amine
CID 5332841

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoropyrazol-1-yl)-6-methylpyrimidine?
The IUPAC name of 4-(4-fluoropyrazol-1-yl)-6-methylpyrimidine (CID 144775187) is 4-(4-fluoropyrazol-1-yl)-6-methylpyrimidine.
What is the SMILES notation for 4-(4-fluoropyrazol-1-yl)-6-methylpyrimidine?
The canonical SMILES for 4-(4-fluoropyrazol-1-yl)-6-methylpyrimidine is Cc1cc(-n2cc(F)cn2)ncn1.
What is the InChIKey of 4-(4-fluoropyrazol-1-yl)-6-methylpyrimidine?
The InChIKey is YGUPKFBRYSXOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN4/c1-6-2-8(11-5-10-6)13-4-7(9)3-12-13/h2-5H,1H3.
What are the key properties of 4-(4-fluoropyrazol-1-yl)-6-methylpyrimidine?
4-(4-fluoropyrazol-1-yl)-6-methylpyrimidine has a molecular weight of 178.17 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoropyrazol-1-yl)-6-methylpyrimidine is sourced from PubChem (CID 144775187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).