N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3-dimethyl-1-propylpyrazole-4-carboxamide

C21H29FN4O — CID 24819394

IUPACN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3-dimethyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)N(C)C2CCCN(Cc3ccccc3F)C2)c(C)n1
InChIInChI=1S/C21H29FN4O/c1-4-11-26-15-19(16(2)23-26)21(27)24(3)18-9-7-12-25(14-18)13-17-8-5-6-10-20(17)22/h5-6,8,10,15,18H,4,7,9,11-14H2,1-3H3
InChIKeyWRMRBRGHIXSSIM-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.48
Rot. Bonds6

About N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3-dimethyl-1-propylpyrazole-4-carboxamide

N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3-dimethyl-1-propylpyrazole-4-carboxamide (PubChem CID 24819394) has the molecular formula C21H29FN4O and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3-dimethyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3-dimethyl-1-propylpyrazole-4-carboxamide
PubChem CID24819394
Molecular FormulaC21H29FN4O
Molecular Weight372.49 g/mol
Exact Mass372.23
IUPAC NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3-dimethyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)N(C)C2CCCN(Cc3ccccc3F)C2)c(C)n1
InChIInChI=1S/C21H29FN4O/c1-4-11-26-15-19(16(2)23-26)21(27)24(3)18-9-7-12-25(14-18)13-17-8-5-6-10-20(17)22/h5-6,8,10,15,18H,4,7,9,11-14H2,1-3H3
InChIKeyWRMRBRGHIXSSIM-UHFFFAOYSA-N
XLogP3.48
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3-dimethyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3-dimethyl-1-propylpyrazole-4-carboxamide (CID 24819394) is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3-dimethyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3-dimethyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3-dimethyl-1-propylpyrazole-4-carboxamide is CCCn1cc(C(=O)N(C)C2CCCN(Cc3ccccc3F)C2)c(C)n1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3-dimethyl-1-propylpyrazole-4-carboxamide?
The InChIKey is WRMRBRGHIXSSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN4O/c1-4-11-26-15-19(16(2)23-26)21(27)24(3)18-9-7-12-25(14-18)13-17-8-5-6-10-20(17)22/h5-6,8,10,15,18H,4,7,9,11-14H2,1-3H3.
What are the key properties of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3-dimethyl-1-propylpyrazole-4-carboxamide?
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3-dimethyl-1-propylpyrazole-4-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3-dimethyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 24819394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).