1-(cyclopropylmethyl)-5-methyl-2-(1-methylpyrazol-4-yl)imidazole

C12H16N4 — CID 130382222

IUPAC1-(cyclopropylmethyl)-5-methyl-2-(1-methylpyrazol-4-yl)imidazole
SMILESCc1cnc(-c2cnn(C)c2)n1CC1CC1
InChIInChI=1S/C12H16N4/c1-9-5-13-12(11-6-14-15(2)8-11)16(9)7-10-3-4-10/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyQZBWSBIGMOYWMJ-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.00
Rot. Bonds3

About 1-(cyclopropylmethyl)-5-methyl-2-(1-methylpyrazol-4-yl)imidazole

1-(cyclopropylmethyl)-5-methyl-2-(1-methylpyrazol-4-yl)imidazole (PubChem CID 130382222) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-methyl-2-(1-methylpyrazol-4-yl)imidazole.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-methyl-2-(1-methylpyrazol-4-yl)imidazole
PubChem CID130382222
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name1-(cyclopropylmethyl)-5-methyl-2-(1-methylpyrazol-4-yl)imidazole
SMILESCc1cnc(-c2cnn(C)c2)n1CC1CC1
InChIInChI=1S/C12H16N4/c1-9-5-13-12(11-6-14-15(2)8-11)16(9)7-10-3-4-10/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyQZBWSBIGMOYWMJ-UHFFFAOYSA-N
XLogP2.00
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-Methylimidazol-2-yl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 53553093
2-(4-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]ethanamine
CID 53614784
1-Methyl-2-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazole
CID 53619483
1-Methyl-2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazole
CID 53627291
1-[(1-Methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine
CID 56780345
2-[(4-Methylpyrazol-1-yl)methyl]-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine
CID 56780377
1-Ethyl-2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazole
CID 56780535
2-[[2-[(4-Methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazole
CID 56780542
2-methoxy-5-{1-[1-methyl-3-(1H-pyrazol-1-yl)propyl]-1H-imidazol-2-yl}pyrimidine
CID 56863217
7-[(1-methylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97467468
8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118747084
1-{4-[(2-Cyclopropyl-5-methyl-1H-imidazol-1-YL)methyl]piperidin-1-YL}-2-(4-methyl-1H-pyrazol-1-YL)ethan-1-one
CID 124047047

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-methyl-2-(1-methylpyrazol-4-yl)imidazole?
The IUPAC name of 1-(cyclopropylmethyl)-5-methyl-2-(1-methylpyrazol-4-yl)imidazole (CID 130382222) is 1-(cyclopropylmethyl)-5-methyl-2-(1-methylpyrazol-4-yl)imidazole.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-methyl-2-(1-methylpyrazol-4-yl)imidazole?
The canonical SMILES for 1-(cyclopropylmethyl)-5-methyl-2-(1-methylpyrazol-4-yl)imidazole is Cc1cnc(-c2cnn(C)c2)n1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-methyl-2-(1-methylpyrazol-4-yl)imidazole?
The InChIKey is QZBWSBIGMOYWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-5-13-12(11-6-14-15(2)8-11)16(9)7-10-3-4-10/h5-6,8,10H,3-4,7H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-5-methyl-2-(1-methylpyrazol-4-yl)imidazole?
1-(cyclopropylmethyl)-5-methyl-2-(1-methylpyrazol-4-yl)imidazole has a molecular weight of 216.29 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-methyl-2-(1-methylpyrazol-4-yl)imidazole is sourced from PubChem (CID 130382222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).