N-(2-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

C14H19N3O3 — CID 115700989

IUPACN-(2-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESCCCC(O)CNC(=O)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C14H19N3O3/c1-2-4-11(18)9-15-14(19)13-6-5-12(20-13)10-17-8-3-7-16-17/h3,5-8,11,18H,2,4,9-10H2,1H3,(H,15,19)
InChIKeyCYYYHFVJCBXOJX-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.42
Rot. Bonds7

About N-(2-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

N-(2-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (PubChem CID 115700989) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(2-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
PubChem CID115700989
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(2-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESCCCC(O)CNC(=O)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C14H19N3O3/c1-2-4-11(18)9-15-14(19)13-6-5-12(20-13)10-17-8-3-7-16-17/h3,5-8,11,18H,2,4,9-10H2,1H3,(H,15,19)
InChIKeyCYYYHFVJCBXOJX-UHFFFAOYSA-N
XLogP1.42
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2-hydroxy-3-oxopropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 106166308
N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463195
N-(4-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 107300126
N-[(3S)-3-(furan-2-yl)-3-hydroxypropyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 95740980
2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid
CID 43355239
N-[(2-ethylpyrazol-3-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19294529
N-(2,3-dihydroxy-2-methylpropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 66170524
N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 60756494
N-(1,3-dihydroxypropan-2-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 65314941
1-ethyl-N-(2-methylpropyl)-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
CID 19402547
N-[(2-chlorophenyl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 39854547
3-hydroxy-2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid
CID 43357614

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-(2-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (CID 115700989) is N-(2-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-(2-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is CCCC(O)CNC(=O)c1ccc(Cn2cccn2)o1.
What is the InChIKey of N-(2-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The InChIKey is CYYYHFVJCBXOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-4-11(18)9-15-14(19)13-6-5-12(20-13)10-17-8-3-7-16-17/h3,5-8,11,18H,2,4,9-10H2,1H3,(H,15,19).
What are the key properties of N-(2-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
N-(2-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 115700989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).