N-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide

C21H25FN6O — CID 24817394

IUPACN-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide
SMILESCc1c(CN2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)cnn1C
InChIInChI=1S/C21H25FN6O/c1-15-17(13-24-26(15)2)14-27-10-7-19(8-11-27)28-20(6-9-23-28)25-21(29)16-4-3-5-18(22)12-16/h3-6,9,12-13,19H,7-8,10-11,14H2,1-2H3,(H,25,29)
InChIKeyPHEIUSCNQWYTIG-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.15
Rot. Bonds5

About N-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide

N-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide (PubChem CID 24817394) has the molecular formula C21H25FN6O and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide
PubChem CID24817394
Molecular FormulaC21H25FN6O
Molecular Weight396.47 g/mol
Exact Mass396.21
IUPAC NameN-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide
SMILESCc1c(CN2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)cnn1C
InChIInChI=1S/C21H25FN6O/c1-15-17(13-24-26(15)2)14-27-10-7-19(8-11-27)28-20(6-9-23-28)25-21(29)16-4-3-5-18(22)12-16/h3-6,9,12-13,19H,7-8,10-11,14H2,1-2H3,(H,25,29)
InChIKeyPHEIUSCNQWYTIG-UHFFFAOYSA-N
XLogP3.15
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide?
The IUPAC name of N-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide (CID 24817394) is N-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide is Cc1c(CN2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)cnn1C.
What is the InChIKey of N-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide?
The InChIKey is PHEIUSCNQWYTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6O/c1-15-17(13-24-26(15)2)14-27-10-7-19(8-11-27)28-20(6-9-23-28)25-21(29)16-4-3-5-18(22)12-16/h3-6,9,12-13,19H,7-8,10-11,14H2,1-2H3,(H,25,29).
What are the key properties of N-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide?
N-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide has a molecular weight of 396.47 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide is sourced from PubChem (CID 24817394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).