2-chloro-4-(4-cyclopropylpyrazol-1-yl)-5-fluoropyrimidine

C10H8ClFN4 — CID 172591551

IUPAC2-chloro-4-(4-cyclopropylpyrazol-1-yl)-5-fluoropyrimidine
SMILESFc1cnc(Cl)nc1-n1cc(C2CC2)cn1
InChIInChI=1S/C10H8ClFN4/c11-10-13-4-8(12)9(15-10)16-5-7(3-14-16)6-1-2-6/h3-6H,1-2H2
InChIKeyUUTPUQUOTYXRBQ-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.33
Rot. Bonds2

About 2-chloro-4-(4-cyclopropylpyrazol-1-yl)-5-fluoropyrimidine

2-chloro-4-(4-cyclopropylpyrazol-1-yl)-5-fluoropyrimidine (PubChem CID 172591551) has the molecular formula C10H8ClFN4 and a molecular weight of 238.65 g/mol. Its IUPAC name is 2-chloro-4-(4-cyclopropylpyrazol-1-yl)-5-fluoropyrimidine.

Molecular Properties

Compound Name2-chloro-4-(4-cyclopropylpyrazol-1-yl)-5-fluoropyrimidine
PubChem CID172591551
Molecular FormulaC10H8ClFN4
Molecular Weight238.65 g/mol
Exact Mass238.04
IUPAC Name2-chloro-4-(4-cyclopropylpyrazol-1-yl)-5-fluoropyrimidine
SMILESFc1cnc(Cl)nc1-n1cc(C2CC2)cn1
InChIInChI=1S/C10H8ClFN4/c11-10-13-4-8(12)9(15-10)16-5-7(3-14-16)6-1-2-6/h3-6H,1-2H2
InChIKeyUUTPUQUOTYXRBQ-UHFFFAOYSA-N
XLogP2.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-cyclopropylpyrazol-1-yl)-5-fluoropyrimidine?
The IUPAC name of 2-chloro-4-(4-cyclopropylpyrazol-1-yl)-5-fluoropyrimidine (CID 172591551) is 2-chloro-4-(4-cyclopropylpyrazol-1-yl)-5-fluoropyrimidine.
What is the SMILES notation for 2-chloro-4-(4-cyclopropylpyrazol-1-yl)-5-fluoropyrimidine?
The canonical SMILES for 2-chloro-4-(4-cyclopropylpyrazol-1-yl)-5-fluoropyrimidine is Fc1cnc(Cl)nc1-n1cc(C2CC2)cn1.
What is the InChIKey of 2-chloro-4-(4-cyclopropylpyrazol-1-yl)-5-fluoropyrimidine?
The InChIKey is UUTPUQUOTYXRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4/c11-10-13-4-8(12)9(15-10)16-5-7(3-14-16)6-1-2-6/h3-6H,1-2H2.
What are the key properties of 2-chloro-4-(4-cyclopropylpyrazol-1-yl)-5-fluoropyrimidine?
2-chloro-4-(4-cyclopropylpyrazol-1-yl)-5-fluoropyrimidine has a molecular weight of 238.65 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-cyclopropylpyrazol-1-yl)-5-fluoropyrimidine is sourced from PubChem (CID 172591551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).