N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]furan-2-carboxamide

C20H20N4O3 — CID 1067684

IUPACN-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1c(C(=O)N2CCCCC2)cnn1-c1ccccc1)c1ccco1
InChIInChI=1S/C20H20N4O3/c25-19(17-10-7-13-27-17)22-18-16(20(26)23-11-5-2-6-12-23)14-21-24(18)15-8-3-1-4-9-15/h1,3-4,7-10,13-14H,2,5-6,11-12H2,(H,22,25)
InChIKeyLRNQGTRWUAPYGM-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.34
Rot. Bonds4

About N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]furan-2-carboxamide

N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]furan-2-carboxamide (PubChem CID 1067684) has the molecular formula C20H20N4O3 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]furan-2-carboxamide
PubChem CID1067684
Molecular FormulaC20H20N4O3
Molecular Weight364.40 g/mol
Exact Mass364.15
IUPAC NameN-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1c(C(=O)N2CCCCC2)cnn1-c1ccccc1)c1ccco1
InChIInChI=1S/C20H20N4O3/c25-19(17-10-7-13-27-17)22-18-16(20(26)23-11-5-2-6-12-23)14-21-24(18)15-8-3-1-4-9-15/h1,3-4,7-10,13-14H,2,5-6,11-12H2,(H,22,25)
InChIKeyLRNQGTRWUAPYGM-UHFFFAOYSA-N
XLogP3.34
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]furan-2-carboxamide (CID 1067684) is N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]furan-2-carboxamide is O=C(Nc1c(C(=O)N2CCCCC2)cnn1-c1ccccc1)c1ccco1.
What is the InChIKey of N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]furan-2-carboxamide?
The InChIKey is LRNQGTRWUAPYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-19(17-10-7-13-27-17)22-18-16(20(26)23-11-5-2-6-12-23)14-21-24(18)15-8-3-1-4-9-15/h1,3-4,7-10,13-14H,2,5-6,11-12H2,(H,22,25).
What are the key properties of N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]furan-2-carboxamide?
N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]furan-2-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 1067684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).