N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-4-carboxamide

C25H35FN4O2 — CID 45174072

IUPACN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)N(CC2CCN(Cc3ccccc3F)CC2)CC2CCCO2)cn1
InChIInChI=1S/C25H35FN4O2/c1-19(2)30-17-22(14-27-30)25(31)29(18-23-7-5-13-32-23)15-20-9-11-28(12-10-20)16-21-6-3-4-8-24(21)26/h3-4,6,8,14,17,19-20,23H,5,7,9-13,15-16,18H2,1-2H3
InChIKeyYVGBYHVRIHXHGI-UHFFFAOYSA-N
MW442.58 g/mol
LogP4.14
Rot. Bonds8

About N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-4-carboxamide

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 45174072) has the molecular formula C25H35FN4O2 and a molecular weight of 442.58 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID45174072
Molecular FormulaC25H35FN4O2
Molecular Weight442.58 g/mol
Exact Mass442.27
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)N(CC2CCN(Cc3ccccc3F)CC2)CC2CCCO2)cn1
InChIInChI=1S/C25H35FN4O2/c1-19(2)30-17-22(14-27-30)25(31)29(18-23-7-5-13-32-23)15-20-9-11-28(12-10-20)16-21-6-3-4-8-24(21)26/h3-4,6,8,14,17,19-20,23H,5,7,9-13,15-16,18H2,1-2H3
InChIKeyYVGBYHVRIHXHGI-UHFFFAOYSA-N
XLogP4.14
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.58
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-4-carboxamide (CID 45174072) is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1cc(C(=O)N(CC2CCN(Cc3ccccc3F)CC2)CC2CCCO2)cn1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is YVGBYHVRIHXHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35FN4O2/c1-19(2)30-17-22(14-27-30)25(31)29(18-23-7-5-13-32-23)15-20-9-11-28(12-10-20)16-21-6-3-4-8-24(21)26/h3-4,6,8,14,17,19-20,23H,5,7,9-13,15-16,18H2,1-2H3.
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-4-carboxamide?
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 442.58 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 45174072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).