4-propan-2-yl-2-pyrazol-1-ylpyrimidine

C10H12N4 — CID 134968872

IUPAC4-propan-2-yl-2-pyrazol-1-ylpyrimidine
SMILESCC(C)c1ccnc(-n2cccn2)n1
InChIInChI=1S/C10H12N4/c1-8(2)9-4-6-11-10(13-9)14-7-3-5-12-14/h3-8H,1-2H3
InChIKeyHHFIHIDQXVZARK-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.79
Rot. Bonds2

About 4-propan-2-yl-2-pyrazol-1-ylpyrimidine

4-propan-2-yl-2-pyrazol-1-ylpyrimidine (PubChem CID 134968872) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-propan-2-yl-2-pyrazol-1-ylpyrimidine.

Molecular Properties

Compound Name4-propan-2-yl-2-pyrazol-1-ylpyrimidine
PubChem CID134968872
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name4-propan-2-yl-2-pyrazol-1-ylpyrimidine
SMILESCC(C)c1ccnc(-n2cccn2)n1
InChIInChI=1S/C10H12N4/c1-8(2)9-4-6-11-10(13-9)14-7-3-5-12-14/h3-8H,1-2H3
InChIKeyHHFIHIDQXVZARK-UHFFFAOYSA-N
XLogP1.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-pyrazol-1-ylpyrimidine?
The IUPAC name of 4-propan-2-yl-2-pyrazol-1-ylpyrimidine (CID 134968872) is 4-propan-2-yl-2-pyrazol-1-ylpyrimidine.
What is the SMILES notation for 4-propan-2-yl-2-pyrazol-1-ylpyrimidine?
The canonical SMILES for 4-propan-2-yl-2-pyrazol-1-ylpyrimidine is CC(C)c1ccnc(-n2cccn2)n1.
What is the InChIKey of 4-propan-2-yl-2-pyrazol-1-ylpyrimidine?
The InChIKey is HHFIHIDQXVZARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-8(2)9-4-6-11-10(13-9)14-7-3-5-12-14/h3-8H,1-2H3.
What are the key properties of 4-propan-2-yl-2-pyrazol-1-ylpyrimidine?
4-propan-2-yl-2-pyrazol-1-ylpyrimidine has a molecular weight of 188.23 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-pyrazol-1-ylpyrimidine is sourced from PubChem (CID 134968872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).