2-cyclopropyl-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-methylpyrimidine

C19H20N4 — CID 167934953

IUPAC2-cyclopropyl-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-methylpyrimidine
SMILESCc1nc(C2CC2)ncc1-c1ccc(-c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C19H20N4/c1-11-17(10-20-19(21-11)16-8-9-16)14-4-6-15(7-5-14)18-12(2)22-23-13(18)3/h4-7,10,16H,8-9H2,1-3H3,(H,22,23)
InChIKeyBSFZSXCWUBPMMR-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.34
Rot. Bonds3

About 2-cyclopropyl-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-methylpyrimidine

2-cyclopropyl-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-methylpyrimidine (PubChem CID 167934953) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-methylpyrimidine
PubChem CID167934953
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name2-cyclopropyl-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-methylpyrimidine
SMILESCc1nc(C2CC2)ncc1-c1ccc(-c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C19H20N4/c1-11-17(10-20-19(21-11)16-8-9-16)14-4-6-15(7-5-14)18-12(2)22-23-13(18)3/h4-7,10,16H,8-9H2,1-3H3,(H,22,23)
InChIKeyBSFZSXCWUBPMMR-UHFFFAOYSA-N
XLogP4.34
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-methylpyrimidine?
The IUPAC name of 2-cyclopropyl-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-methylpyrimidine (CID 167934953) is 2-cyclopropyl-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-methylpyrimidine.
What is the SMILES notation for 2-cyclopropyl-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-methylpyrimidine?
The canonical SMILES for 2-cyclopropyl-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-methylpyrimidine is Cc1nc(C2CC2)ncc1-c1ccc(-c2c(C)n[nH]c2C)cc1.
What is the InChIKey of 2-cyclopropyl-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-methylpyrimidine?
The InChIKey is BSFZSXCWUBPMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-11-17(10-20-19(21-11)16-8-9-16)14-4-6-15(7-5-14)18-12(2)22-23-13(18)3/h4-7,10,16H,8-9H2,1-3H3,(H,22,23).
What are the key properties of 2-cyclopropyl-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-methylpyrimidine?
2-cyclopropyl-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-methylpyrimidine has a molecular weight of 304.40 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-methylpyrimidine is sourced from PubChem (CID 167934953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).