N-(4-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

C14H19N3O3 — CID 107300126

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

About N-(4-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

N-(4-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (PubChem CID 107300126) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(4-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
PubChem CID107300126
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(4-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESCC(O)CCCNC(=O)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C14H19N3O3/c1-11(18)4-2-7-15-14(19)13-6-5-12(20-13)10-17-9-3-8-16-17/h3,5-6,8-9,11,18H,2,4,7,10H2,1H3,(H,15,19)
InChIKeyQSLNDQHAZXAWKQ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463195
N-(2-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 115700989
5-ethyl-N-(4-hydroxypentyl)furan-2-carboxamide
CID 107299752
N-[(3S)-3-(furan-2-yl)-3-hydroxypropyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 95740980
N-(3-amino-2-hydroxy-3-oxopropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 106166308
2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid
CID 43355239
N-(3-hydroxybutyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 111429261
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
N-[1-(2-bromophenyl)ethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 42959133

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-(4-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (CID 107300126) is N-(4-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-(4-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is CC(O)CCCNC(=O)c1ccc(Cn2cccn2)o1.
What is the InChIKey of N-(4-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The InChIKey is QSLNDQHAZXAWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-11(18)4-2-7-15-14(19)13-6-5-12(20-13)10-17-9-3-8-16-17/h3,5-6,8-9,11,18H,2,4,7,10H2,1H3,(H,15,19).
What are the key properties of N-(4-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
N-(4-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-(4-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 107300126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).