[(3R)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone

C24H21F2N5O — CID 42213954

IUPAC[(3R)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1cccc(-n2cccn2)c1)N1CCC[C@@H](c2[nH]ncc2-c2ccc(F)c(F)c2)C1
InChIInChI=1S/C24H21F2N5O/c25-21-8-7-16(13-22(21)26)20-14-27-29-23(20)18-5-2-10-30(15-18)24(32)17-4-1-6-19(12-17)31-11-3-9-28-31/h1,3-4,6-9,11-14,18H,2,5,10,15H2,(H,27,29)/t18-/m1/s1
InChIKeyNQCVSIQXIJPTSU-GOSISDBHSA-N
MW433.46 g/mol
LogP4.56
Rot. Bonds4

About [(3R)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone

[(3R)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone (PubChem CID 42213954) has the molecular formula C24H21F2N5O and a molecular weight of 433.46 g/mol. Its IUPAC name is [(3R)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
PubChem CID42213954
Molecular FormulaC24H21F2N5O
Molecular Weight433.46 g/mol
Exact Mass433.17
IUPAC Name[(3R)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1cccc(-n2cccn2)c1)N1CCC[C@@H](c2[nH]ncc2-c2ccc(F)c(F)c2)C1
InChIInChI=1S/C24H21F2N5O/c25-21-8-7-16(13-22(21)26)20-14-27-29-23(20)18-5-2-10-30(15-18)24(32)17-4-1-6-19(12-17)31-11-3-9-28-31/h1,3-4,6-9,11-14,18H,2,5,10,15H2,(H,27,29)/t18-/m1/s1
InChIKeyNQCVSIQXIJPTSU-GOSISDBHSA-N
XLogP4.56
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

[(3R)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 51494017
cyclopenten-1-yl-[(3S)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 42407069
(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 124576728
[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 56748606
[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 70775154
[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 95840214
2-[5-[(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126454332
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 124689004
[(3S)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 42165042
[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110268757
1-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethane-1,2-dione
CID 95209428
(3R)-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 129350524

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone?
The IUPAC name of [(3R)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone (CID 42213954) is [(3R)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for [(3R)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for [(3R)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone is O=C(c1cccc(-n2cccn2)c1)N1CCC[C@@H](c2[nH]ncc2-c2ccc(F)c(F)c2)C1.
What is the InChIKey of [(3R)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone?
The InChIKey is NQCVSIQXIJPTSU-GOSISDBHSA-N. The full InChI is InChI=1S/C24H21F2N5O/c25-21-8-7-16(13-22(21)26)20-14-27-29-23(20)18-5-2-10-30(15-18)24(32)17-4-1-6-19(12-17)31-11-3-9-28-31/h1,3-4,6-9,11-14,18H,2,5,10,15H2,(H,27,29)/t18-/m1/s1.
What are the key properties of [(3R)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone?
[(3R)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone has a molecular weight of 433.46 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 42213954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).