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

C17H22N4 — CID 2986538

IUPAC1-ethyl-3-methyl-4-[(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)methyl]pyrazole
SMILESCCn1cc(CN2N=C(C)CC2c2ccccc2)c(C)n1
InChIInChI=1S/C17H22N4/c1-4-20-11-16(14(3)19-20)12-21-17(10-13(2)18-21)15-8-6-5-7-9-15/h5-9,11,17H,4,10,12H2,1-3H3
InChIKeyOCVHOZFLMRKLIF-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.53
Rot. Bonds4

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

1-ethyl-3-methyl-4-[(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)methyl]pyrazole (PubChem CID 2986538) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-ethyl-3-methyl-4-[(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)methyl]pyrazole.

Molecular Properties

Compound Name1-ethyl-3-methyl-4-[(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)methyl]pyrazole
PubChem CID2986538
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name1-ethyl-3-methyl-4-[(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)methyl]pyrazole
SMILESCCn1cc(CN2N=C(C)CC2c2ccccc2)c(C)n1
InChIInChI=1S/C17H22N4/c1-4-20-11-16(14(3)19-20)12-21-17(10-13(2)18-21)15-8-6-5-7-9-15/h5-9,11,17H,4,10,12H2,1-3H3
InChIKeyOCVHOZFLMRKLIF-UHFFFAOYSA-N
XLogP3.53
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 39425
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CID 57320331
Fezolamine
CID 54567
E-55888
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CID 21219157
4-(4-Methylphenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152221091
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
4-(1H-pyrazol-1-ylmethyl)aniline
CID 2764412
(1-methyl-1H-pyrazol-5-yl)(phenyl)methanamine
CID 43817898
3-methyl-1-phenyl-1H-pyrazole
CID 70783
1-Methyl-1H-indazole
CID 139456
1-Benzyl-1H-pyrazole
CID 3546441

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-4-[(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)methyl]pyrazole?
The IUPAC name of 1-ethyl-3-methyl-4-[(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)methyl]pyrazole (CID 2986538) is 1-ethyl-3-methyl-4-[(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)methyl]pyrazole.
What is the SMILES notation for 1-ethyl-3-methyl-4-[(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)methyl]pyrazole?
The canonical SMILES for 1-ethyl-3-methyl-4-[(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)methyl]pyrazole is CCn1cc(CN2N=C(C)CC2c2ccccc2)c(C)n1.
What is the InChIKey of 1-ethyl-3-methyl-4-[(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)methyl]pyrazole?
The InChIKey is OCVHOZFLMRKLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-4-20-11-16(14(3)19-20)12-21-17(10-13(2)18-21)15-8-6-5-7-9-15/h5-9,11,17H,4,10,12H2,1-3H3.
What are the key properties of 1-ethyl-3-methyl-4-[(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)methyl]pyrazole?
1-ethyl-3-methyl-4-[(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)methyl]pyrazole has a molecular weight of 282.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-4-[(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)methyl]pyrazole is sourced from PubChem (CID 2986538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).