4-[3-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]-2-methylpyrimidine

C18H18N4 — CID 29029041

IUPAC4-[3-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]-2-methylpyrimidine
SMILESCc1nccc(-c2cccc(-c3ccn(CC4CC4)n3)c2)n1
InChIInChI=1S/C18H18N4/c1-13-19-9-7-17(20-13)15-3-2-4-16(11-15)18-8-10-22(21-18)12-14-5-6-14/h2-4,7-11,14H,5-6,12H2,1H3
InChIKeySNNVXTVYWZEXQI-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.73
Rot. Bonds4

About 4-[3-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]-2-methylpyrimidine

4-[3-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]-2-methylpyrimidine (PubChem CID 29029041) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-[3-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-[3-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]-2-methylpyrimidine
PubChem CID29029041
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name4-[3-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]-2-methylpyrimidine
SMILESCc1nccc(-c2cccc(-c3ccn(CC4CC4)n3)c2)n1
InChIInChI=1S/C18H18N4/c1-13-19-9-7-17(20-13)15-3-2-4-16(11-15)18-8-10-22(21-18)12-14-5-6-14/h2-4,7-11,14H,5-6,12H2,1H3
InChIKeySNNVXTVYWZEXQI-UHFFFAOYSA-N
XLogP3.73
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]-2-methylpyrimidine?
The IUPAC name of 4-[3-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]-2-methylpyrimidine (CID 29029041) is 4-[3-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]-2-methylpyrimidine.
What is the SMILES notation for 4-[3-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]-2-methylpyrimidine?
The canonical SMILES for 4-[3-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]-2-methylpyrimidine is Cc1nccc(-c2cccc(-c3ccn(CC4CC4)n3)c2)n1.
What is the InChIKey of 4-[3-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]-2-methylpyrimidine?
The InChIKey is SNNVXTVYWZEXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-13-19-9-7-17(20-13)15-3-2-4-16(11-15)18-8-10-22(21-18)12-14-5-6-14/h2-4,7-11,14H,5-6,12H2,1H3.
What are the key properties of 4-[3-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]-2-methylpyrimidine?
4-[3-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]-2-methylpyrimidine has a molecular weight of 290.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]-2-methylpyrimidine is sourced from PubChem (CID 29029041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).