1,4-dimethyl-2-[2-(3-methylpyrazol-1-yl)propan-2-yl]imidazole

C12H18N4 — CID 141377834

IUPAC1,4-dimethyl-2-[2-(3-methylpyrazol-1-yl)propan-2-yl]imidazole
SMILESCc1cn(C)c(C(C)(C)n2ccc(C)n2)n1
InChIInChI=1S/C12H18N4/c1-9-6-7-16(14-9)12(3,4)11-13-10(2)8-15(11)5/h6-8H,1-5H3
InChIKeyRPZCWNMQPQYURT-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.02
Rot. Bonds2

About 1,4-dimethyl-2-[2-(3-methylpyrazol-1-yl)propan-2-yl]imidazole

1,4-dimethyl-2-[2-(3-methylpyrazol-1-yl)propan-2-yl]imidazole (PubChem CID 141377834) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1,4-dimethyl-2-[2-(3-methylpyrazol-1-yl)propan-2-yl]imidazole.

Molecular Properties

Compound Name1,4-dimethyl-2-[2-(3-methylpyrazol-1-yl)propan-2-yl]imidazole
PubChem CID141377834
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name1,4-dimethyl-2-[2-(3-methylpyrazol-1-yl)propan-2-yl]imidazole
SMILESCc1cn(C)c(C(C)(C)n2ccc(C)n2)n1
InChIInChI=1S/C12H18N4/c1-9-6-7-16(14-9)12(3,4)11-13-10(2)8-15(11)5/h6-8H,1-5H3
InChIKeyRPZCWNMQPQYURT-UHFFFAOYSA-N
XLogP2.02
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N~4~,6-dimethyl-N~4~-[3-(1H-pyrazol-1-yl)propyl]-2,4-pyrimidinediamine
CID 39782655
N-[(1-methyl-1H-imidazol-2-yl)methyl]-4-(1-methyl-1H-1,2,4-triazol-5-yl)pyrimidin-2-amine
CID 45190722
6-N-[(2-ethylpyrazol-3-yl)methyl]-6-N,8,9-trimethylpurine-2,6-diamine
CID 52422232
6-N,8,9-trimethyl-6-N-[(2-methylpyrazol-3-yl)methyl]purine-2,6-diamine
CID 52422234
4-N,4-N,6-trimethyl-2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 53537047
N,N,6-trimethyl-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]pyrimidin-4-amine
CID 53586709
N,N,6-trimethyl-2-(3-pyrazol-1-ylazetidin-1-yl)pyrimidin-4-amine
CID 53613729
1-Methyl-2-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazole
CID 53619483
1-[(1-Methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine
CID 56780345
N,5-dimethyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70778317
1-[(3,5-dimethyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-(1-methyl-1H-imidazol-2-yl)-1H-1,2,3-triazole
CID 72866156
8-[(1-Methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane
CID 97396972

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-[2-(3-methylpyrazol-1-yl)propan-2-yl]imidazole?
The IUPAC name of 1,4-dimethyl-2-[2-(3-methylpyrazol-1-yl)propan-2-yl]imidazole (CID 141377834) is 1,4-dimethyl-2-[2-(3-methylpyrazol-1-yl)propan-2-yl]imidazole.
What is the SMILES notation for 1,4-dimethyl-2-[2-(3-methylpyrazol-1-yl)propan-2-yl]imidazole?
The canonical SMILES for 1,4-dimethyl-2-[2-(3-methylpyrazol-1-yl)propan-2-yl]imidazole is Cc1cn(C)c(C(C)(C)n2ccc(C)n2)n1.
What is the InChIKey of 1,4-dimethyl-2-[2-(3-methylpyrazol-1-yl)propan-2-yl]imidazole?
The InChIKey is RPZCWNMQPQYURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-9-6-7-16(14-9)12(3,4)11-13-10(2)8-15(11)5/h6-8H,1-5H3.
What are the key properties of 1,4-dimethyl-2-[2-(3-methylpyrazol-1-yl)propan-2-yl]imidazole?
1,4-dimethyl-2-[2-(3-methylpyrazol-1-yl)propan-2-yl]imidazole has a molecular weight of 218.30 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-[2-(3-methylpyrazol-1-yl)propan-2-yl]imidazole is sourced from PubChem (CID 141377834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).