5-methyl-3-[(3R)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]-1H-pyrazole

C14H16N4 — CID 40713714

IUPAC5-methyl-3-[(3R)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]-1H-pyrazole
SMILESCC1=NN(c2cc(C)[nH]n2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C14H16N4/c1-10-9-14(16-15-10)18-13(8-11(2)17-18)12-6-4-3-5-7-12/h3-7,9,13H,8H2,1-2H3,(H,15,16)/t13-/m1/s1
InChIKeyRRMHSDNNUGMMKQ-CYBMUJFWSA-N
MW240.31 g/mol
LogP3.05
Rot. Bonds2

About 5-methyl-3-[(3R)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]-1H-pyrazole

5-methyl-3-[(3R)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]-1H-pyrazole (PubChem CID 40713714) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-methyl-3-[(3R)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-methyl-3-[(3R)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]-1H-pyrazole
PubChem CID40713714
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name5-methyl-3-[(3R)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]-1H-pyrazole
SMILESCC1=NN(c2cc(C)[nH]n2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C14H16N4/c1-10-9-14(16-15-10)18-13(8-11(2)17-18)12-6-4-3-5-7-12/h3-7,9,13H,8H2,1-2H3,(H,15,16)/t13-/m1/s1
InChIKeyRRMHSDNNUGMMKQ-CYBMUJFWSA-N
XLogP3.05
TPSA44.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(3R)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]-1H-pyrazole?
The IUPAC name of 5-methyl-3-[(3R)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]-1H-pyrazole (CID 40713714) is 5-methyl-3-[(3R)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]-1H-pyrazole.
What is the SMILES notation for 5-methyl-3-[(3R)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]-1H-pyrazole?
The canonical SMILES for 5-methyl-3-[(3R)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]-1H-pyrazole is CC1=NN(c2cc(C)[nH]n2)[C@@H](c2ccccc2)C1.
What is the InChIKey of 5-methyl-3-[(3R)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]-1H-pyrazole?
The InChIKey is RRMHSDNNUGMMKQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H16N4/c1-10-9-14(16-15-10)18-13(8-11(2)17-18)12-6-4-3-5-7-12/h3-7,9,13H,8H2,1-2H3,(H,15,16)/t13-/m1/s1.
What are the key properties of 5-methyl-3-[(3R)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]-1H-pyrazole?
5-methyl-3-[(3R)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]-1H-pyrazole has a molecular weight of 240.31 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(3R)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]-1H-pyrazole is sourced from PubChem (CID 40713714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).