4-(3,5-dimethyl-1,2-dihydropyrazol-3-yl)-5-methoxy-1-phenylpyrazole

C15H18N4O — CID 69404399

IUPAC4-(3,5-dimethyl-1,2-dihydropyrazol-3-yl)-5-methoxy-1-phenylpyrazole
SMILESCOc1c(C2(C)C=C(C)NN2)cnn1-c1ccccc1
InChIInChI=1S/C15H18N4O/c1-11-9-15(2,18-17-11)13-10-16-19(14(13)20-3)12-7-5-4-6-8-12/h4-10,17-18H,1-3H3
InChIKeyNKPYFUAPMAXVPQ-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.11
Rot. Bonds3

About 4-(3,5-dimethyl-1,2-dihydropyrazol-3-yl)-5-methoxy-1-phenylpyrazole

4-(3,5-dimethyl-1,2-dihydropyrazol-3-yl)-5-methoxy-1-phenylpyrazole (PubChem CID 69404399) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2-dihydropyrazol-3-yl)-5-methoxy-1-phenylpyrazole.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2-dihydropyrazol-3-yl)-5-methoxy-1-phenylpyrazole
PubChem CID69404399
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-(3,5-dimethyl-1,2-dihydropyrazol-3-yl)-5-methoxy-1-phenylpyrazole
SMILESCOc1c(C2(C)C=C(C)NN2)cnn1-c1ccccc1
InChIInChI=1S/C15H18N4O/c1-11-9-15(2,18-17-11)13-10-16-19(14(13)20-3)12-7-5-4-6-8-12/h4-10,17-18H,1-3H3
InChIKeyNKPYFUAPMAXVPQ-UHFFFAOYSA-N
XLogP2.11
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2-dihydropyrazol-3-yl)-5-methoxy-1-phenylpyrazole?
The IUPAC name of 4-(3,5-dimethyl-1,2-dihydropyrazol-3-yl)-5-methoxy-1-phenylpyrazole (CID 69404399) is 4-(3,5-dimethyl-1,2-dihydropyrazol-3-yl)-5-methoxy-1-phenylpyrazole.
What is the SMILES notation for 4-(3,5-dimethyl-1,2-dihydropyrazol-3-yl)-5-methoxy-1-phenylpyrazole?
The canonical SMILES for 4-(3,5-dimethyl-1,2-dihydropyrazol-3-yl)-5-methoxy-1-phenylpyrazole is COc1c(C2(C)C=C(C)NN2)cnn1-c1ccccc1.
What is the InChIKey of 4-(3,5-dimethyl-1,2-dihydropyrazol-3-yl)-5-methoxy-1-phenylpyrazole?
The InChIKey is NKPYFUAPMAXVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11-9-15(2,18-17-11)13-10-16-19(14(13)20-3)12-7-5-4-6-8-12/h4-10,17-18H,1-3H3.
What are the key properties of 4-(3,5-dimethyl-1,2-dihydropyrazol-3-yl)-5-methoxy-1-phenylpyrazole?
4-(3,5-dimethyl-1,2-dihydropyrazol-3-yl)-5-methoxy-1-phenylpyrazole has a molecular weight of 270.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1,2-dihydropyrazol-3-yl)-5-methoxy-1-phenylpyrazole is sourced from PubChem (CID 69404399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).