4-(3-butan-2-yl-2-methylphenyl)-1H-pyrazole

C14H18N2 — CID 155741527

IUPAC4-(3-butan-2-yl-2-methylphenyl)-1H-pyrazole
SMILESCCC(C)c1cccc(-c2cn[nH]c2)c1C
InChIInChI=1S/C14H18N2/c1-4-10(2)13-6-5-7-14(11(13)3)12-8-15-16-9-12/h5-10H,4H2,1-3H3,(H,15,16)
InChIKeyIYDOSFHHAWSXIR-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.90
Rot. Bonds3

About 4-(3-butan-2-yl-2-methylphenyl)-1H-pyrazole

4-(3-butan-2-yl-2-methylphenyl)-1H-pyrazole (PubChem CID 155741527) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-(3-butan-2-yl-2-methylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(3-butan-2-yl-2-methylphenyl)-1H-pyrazole
PubChem CID155741527
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4-(3-butan-2-yl-2-methylphenyl)-1H-pyrazole
SMILESCCC(C)c1cccc(-c2cn[nH]c2)c1C
InChIInChI=1S/C14H18N2/c1-4-10(2)13-6-5-7-14(11(13)3)12-8-15-16-9-12/h5-10H,4H2,1-3H3,(H,15,16)
InChIKeyIYDOSFHHAWSXIR-UHFFFAOYSA-N
XLogP3.90
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2R)-butan-2-yl]-3-fluoro-2-methylbenzene
CID 139403065
2-[[2-(1H-pyrazol-4-yl)phenyl]methyl]butanoic acid
CID 167865497
1-butan-2-yl-3-ethylsulfanyl-2-methylbenzene
CID 100940159
[2-(1H-pyrazol-4-yl)phenyl]boronic acid
CID 67224191
4-(2-fluorophenyl)-1H-pyrazole;hydrochloride
CID 66953451
4-(1H-pyrazol-4-yl)-1H-pyrazole
CID 2422340
4-anthracen-1-yl-1H-pyrazole
CID 91120049
4-butan-2-yl-3-methyl-1H-indole
CID 123926805
4-ethyl-8-(1H-pyrazol-4-yl)-2,3-dihydro-1,4-benzoxazine
CID 167254291
2,3-bis(1H-pyrazol-4-yl)benzonitrile
CID 141438727
5-butan-2-ylquinoxaline
CID 123654553
1-[di(propan-2-yl)amino]-3-[2-(1H-pyrazol-4-yl)phenoxy]propan-2-ol
CID 121494372

Frequently Asked Questions

What is the IUPAC name of 4-(3-butan-2-yl-2-methylphenyl)-1H-pyrazole?
The IUPAC name of 4-(3-butan-2-yl-2-methylphenyl)-1H-pyrazole (CID 155741527) is 4-(3-butan-2-yl-2-methylphenyl)-1H-pyrazole.
What is the SMILES notation for 4-(3-butan-2-yl-2-methylphenyl)-1H-pyrazole?
The canonical SMILES for 4-(3-butan-2-yl-2-methylphenyl)-1H-pyrazole is CCC(C)c1cccc(-c2cn[nH]c2)c1C.
What is the InChIKey of 4-(3-butan-2-yl-2-methylphenyl)-1H-pyrazole?
The InChIKey is IYDOSFHHAWSXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-4-10(2)13-6-5-7-14(11(13)3)12-8-15-16-9-12/h5-10H,4H2,1-3H3,(H,15,16).
What are the key properties of 4-(3-butan-2-yl-2-methylphenyl)-1H-pyrazole?
4-(3-butan-2-yl-2-methylphenyl)-1H-pyrazole has a molecular weight of 214.31 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-butan-2-yl-2-methylphenyl)-1H-pyrazole is sourced from PubChem (CID 155741527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).