5-(1,3-difluoropropan-2-yloxymethyl)-3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazole

C17H18F2N4O — CID 141365187

IUPAC5-(1,3-difluoropropan-2-yloxymethyl)-3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazole
SMILESCc1ccc(-c2cc(COC(CF)CF)[nH]n2)cc1-n1ccnc1
InChIInChI=1S/C17H18F2N4O/c1-12-2-3-13(6-17(12)23-5-4-20-11-23)16-7-14(21-22-16)10-24-15(8-18)9-19/h2-7,11,15H,8-10H2,1H3,(H,21,22)
InChIKeyKSCJQKNFROEJJR-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.40
Rot. Bonds7

About 5-(1,3-difluoropropan-2-yloxymethyl)-3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazole

5-(1,3-difluoropropan-2-yloxymethyl)-3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazole (PubChem CID 141365187) has the molecular formula C17H18F2N4O and a molecular weight of 332.35 g/mol. Its IUPAC name is 5-(1,3-difluoropropan-2-yloxymethyl)-3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(1,3-difluoropropan-2-yloxymethyl)-3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazole
PubChem CID141365187
Molecular FormulaC17H18F2N4O
Molecular Weight332.35 g/mol
Exact Mass332.14
IUPAC Name5-(1,3-difluoropropan-2-yloxymethyl)-3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazole
SMILESCc1ccc(-c2cc(COC(CF)CF)[nH]n2)cc1-n1ccnc1
InChIInChI=1S/C17H18F2N4O/c1-12-2-3-13(6-17(12)23-5-4-20-11-23)16-7-14(21-22-16)10-24-15(8-18)9-19/h2-7,11,15H,8-10H2,1H3,(H,21,22)
InChIKeyKSCJQKNFROEJJR-UHFFFAOYSA-N
XLogP3.40
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-difluoropropan-2-yloxymethyl)-3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazole?
The IUPAC name of 5-(1,3-difluoropropan-2-yloxymethyl)-3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazole (CID 141365187) is 5-(1,3-difluoropropan-2-yloxymethyl)-3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(1,3-difluoropropan-2-yloxymethyl)-3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazole?
The canonical SMILES for 5-(1,3-difluoropropan-2-yloxymethyl)-3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazole is Cc1ccc(-c2cc(COC(CF)CF)[nH]n2)cc1-n1ccnc1.
What is the InChIKey of 5-(1,3-difluoropropan-2-yloxymethyl)-3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazole?
The InChIKey is KSCJQKNFROEJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O/c1-12-2-3-13(6-17(12)23-5-4-20-11-23)16-7-14(21-22-16)10-24-15(8-18)9-19/h2-7,11,15H,8-10H2,1H3,(H,21,22).
What are the key properties of 5-(1,3-difluoropropan-2-yloxymethyl)-3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazole?
5-(1,3-difluoropropan-2-yloxymethyl)-3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazole has a molecular weight of 332.35 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-difluoropropan-2-yloxymethyl)-3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazole is sourced from PubChem (CID 141365187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).