1-(difluoromethyl)-2-[(3-propan-2-ylpyrazol-1-yl)methyl]imidazole

C11H14F2N4 — CID 71909756

IUPAC1-(difluoromethyl)-2-[(3-propan-2-ylpyrazol-1-yl)methyl]imidazole
SMILESCC(C)c1ccn(Cc2nccn2C(F)F)n1
InChIInChI=1S/C11H14F2N4/c1-8(2)9-3-5-16(15-9)7-10-14-4-6-17(10)11(12)13/h3-6,8,11H,7H2,1-2H3
InChIKeyJIUQFSUQTNWICV-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.65
Rot. Bonds4

About 1-(difluoromethyl)-2-[(3-propan-2-ylpyrazol-1-yl)methyl]imidazole

1-(difluoromethyl)-2-[(3-propan-2-ylpyrazol-1-yl)methyl]imidazole (PubChem CID 71909756) has the molecular formula C11H14F2N4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-[(3-propan-2-ylpyrazol-1-yl)methyl]imidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-2-[(3-propan-2-ylpyrazol-1-yl)methyl]imidazole
PubChem CID71909756
Molecular FormulaC11H14F2N4
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name1-(difluoromethyl)-2-[(3-propan-2-ylpyrazol-1-yl)methyl]imidazole
SMILESCC(C)c1ccn(Cc2nccn2C(F)F)n1
InChIInChI=1S/C11H14F2N4/c1-8(2)9-3-5-16(15-9)7-10-14-4-6-17(10)11(12)13/h3-6,8,11H,7H2,1-2H3
InChIKeyJIUQFSUQTNWICV-UHFFFAOYSA-N
XLogP2.65
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-methyl-2-N-[5-methyl-1-[2-(1-methylpyrazol-3-yl)propyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72190898
US11214565, Example A-55
CID 135374445
US11214565, Example A-54
CID 135374518
4-cyclopentyl-N-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpyrimidin-2-amine
CID 56878036
7-[(3S)-3-fluoro-1-pyrrolidinyl]-5-isopropylpyrazolo[1,5-a]pyrimidine
CID 56884125
5-isopropyl-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56907612
4-Propan-2-yl-2-pyrazol-1-ylpyrimidine
CID 134968872
N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56861976
N-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56862554
2-(1-methyl-1H-pyrazol-4-yl)-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56863891
2-{4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidin-1-yl}-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56872062
2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)pyrrolidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56880320

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-[(3-propan-2-ylpyrazol-1-yl)methyl]imidazole?
The IUPAC name of 1-(difluoromethyl)-2-[(3-propan-2-ylpyrazol-1-yl)methyl]imidazole (CID 71909756) is 1-(difluoromethyl)-2-[(3-propan-2-ylpyrazol-1-yl)methyl]imidazole.
What is the SMILES notation for 1-(difluoromethyl)-2-[(3-propan-2-ylpyrazol-1-yl)methyl]imidazole?
The canonical SMILES for 1-(difluoromethyl)-2-[(3-propan-2-ylpyrazol-1-yl)methyl]imidazole is CC(C)c1ccn(Cc2nccn2C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-2-[(3-propan-2-ylpyrazol-1-yl)methyl]imidazole?
The InChIKey is JIUQFSUQTNWICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N4/c1-8(2)9-3-5-16(15-9)7-10-14-4-6-17(10)11(12)13/h3-6,8,11H,7H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-2-[(3-propan-2-ylpyrazol-1-yl)methyl]imidazole?
1-(difluoromethyl)-2-[(3-propan-2-ylpyrazol-1-yl)methyl]imidazole has a molecular weight of 240.26 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-[(3-propan-2-ylpyrazol-1-yl)methyl]imidazole is sourced from PubChem (CID 71909756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).