N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide

C22H27FN6O — CID 24791403

IUPACN-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide
SMILESCCn1cc(CN2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)c(C)n1
InChIInChI=1S/C22H27FN6O/c1-3-28-15-18(16(2)26-28)14-27-11-8-20(9-12-27)29-21(7-10-24-29)25-22(30)17-5-4-6-19(23)13-17/h4-7,10,13,15,20H,3,8-9,11-12,14H2,1-2H3,(H,25,30)
InChIKeyLBIXNSAMWTVEQR-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.64
Rot. Bonds6

About N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide

N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide (PubChem CID 24791403) has the molecular formula C22H27FN6O and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide
PubChem CID24791403
Molecular FormulaC22H27FN6O
Molecular Weight410.50 g/mol
Exact Mass410.22
IUPAC NameN-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide
SMILESCCn1cc(CN2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)c(C)n1
InChIInChI=1S/C22H27FN6O/c1-3-28-15-18(16(2)26-28)14-27-11-8-20(9-12-27)29-21(7-10-24-29)25-22(30)17-5-4-6-19(23)13-17/h4-7,10,13,15,20H,3,8-9,11-12,14H2,1-2H3,(H,25,30)
InChIKeyLBIXNSAMWTVEQR-UHFFFAOYSA-N
XLogP3.64
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.64
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-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide?
The IUPAC name of N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide (CID 24791403) is N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide is CCn1cc(CN2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)c(C)n1.
What is the InChIKey of N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide?
The InChIKey is LBIXNSAMWTVEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN6O/c1-3-28-15-18(16(2)26-28)14-27-11-8-20(9-12-27)29-21(7-10-24-29)25-22(30)17-5-4-6-19(23)13-17/h4-7,10,13,15,20H,3,8-9,11-12,14H2,1-2H3,(H,25,30).
What are the key properties of N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide?
N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide has a molecular weight of 410.50 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide is sourced from PubChem (CID 24791403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).