5-methyl-4-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole

C14H18N2 — CID 175718043

IUPAC5-methyl-4-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole
SMILESCc1[nH]ncc1Cc1ccc(C(C)C)cc1
InChIInChI=1S/C14H18N2/c1-10(2)13-6-4-12(5-7-13)8-14-9-15-16-11(14)3/h4-7,9-10H,8H2,1-3H3,(H,15,16)
InChIKeyDCUVBKVSMIKBAR-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.43
Rot. Bonds3

About 5-methyl-4-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole

5-methyl-4-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole (PubChem CID 175718043) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 5-methyl-4-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole.

Molecular Properties

Compound Name5-methyl-4-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole
PubChem CID175718043
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name5-methyl-4-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole
SMILESCc1[nH]ncc1Cc1ccc(C(C)C)cc1
InChIInChI=1S/C14H18N2/c1-10(2)13-6-4-12(5-7-13)8-14-9-15-16-11(14)3/h4-7,9-10H,8H2,1-3H3,(H,15,16)
InChIKeyDCUVBKVSMIKBAR-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-propylphenyl)ethanamine
CID 54896321
1-(4-chlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43663590
4-methyl-2-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]benzene
CID 141236987
1-(4-chlorophenyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43687623
1-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 54893050
5-methyl-4-(2-methylbutyl)-1H-pyrazole
CID 118581492
1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 61067726
3-[(4-propan-2-ylphenyl)methyl]pyridine-4-carbaldehyde
CID 96592105
2-fluoro-4-methyl-1-[(4-propan-2-ylphenyl)methyl]benzene
CID 165003126
2-[5-methyl-2-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-4-yl]acetic acid
CID 82306414
N,N-dimethyl-1-[5-[(4-propan-2-ylphenyl)methyl]-1H-1,2,4-triazol-3-yl]methanamine
CID 167803897
2-[(4-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole
CID 46198736

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole?
The IUPAC name of 5-methyl-4-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole (CID 175718043) is 5-methyl-4-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole.
What is the SMILES notation for 5-methyl-4-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole?
The canonical SMILES for 5-methyl-4-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole is Cc1[nH]ncc1Cc1ccc(C(C)C)cc1.
What is the InChIKey of 5-methyl-4-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole?
The InChIKey is DCUVBKVSMIKBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10(2)13-6-4-12(5-7-13)8-14-9-15-16-11(14)3/h4-7,9-10H,8H2,1-3H3,(H,15,16).
What are the key properties of 5-methyl-4-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole?
5-methyl-4-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole has a molecular weight of 214.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole is sourced from PubChem (CID 175718043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).