N-[(3S)-3-(furan-2-yl)-3-hydroxypropyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

C16H17N3O4 — CID 95740980

IUPACN-[(3S)-3-(furan-2-yl)-3-hydroxypropyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESO=C(NCC[C@H](O)c1ccco1)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C16H17N3O4/c20-13(14-3-1-10-22-14)6-8-17-16(21)15-5-4-12(23-15)11-19-9-2-7-18-19/h1-5,7,9-10,13,20H,6,8,11H2,(H,17,21)/t13-/m0/s1
InChIKeyAFVDQGAPHSNNFU-ZDUSSCGKSA-N
MW315.33 g/mol
LogP1.97
Rot. Bonds7

About N-[(3S)-3-(furan-2-yl)-3-hydroxypropyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

N-[(3S)-3-(furan-2-yl)-3-hydroxypropyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (PubChem CID 95740980) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[(3S)-3-(furan-2-yl)-3-hydroxypropyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3-(furan-2-yl)-3-hydroxypropyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
PubChem CID95740980
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-[(3S)-3-(furan-2-yl)-3-hydroxypropyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESO=C(NCC[C@H](O)c1ccco1)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C16H17N3O4/c20-13(14-3-1-10-22-14)6-8-17-16(21)15-5-4-12(23-15)11-19-9-2-7-18-19/h1-5,7,9-10,13,20H,6,8,11H2,(H,17,21)/t13-/m0/s1
InChIKeyAFVDQGAPHSNNFU-ZDUSSCGKSA-N
XLogP1.97
TPSA93.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3S)-3-(furan-2-yl)-3-hydroxypropyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 107300126
N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463195
N-(2-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 115700989
N-(3-amino-2-hydroxy-3-oxopropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 106166308
N-(1,3-dihydroxypropan-2-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 65314941
5-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 110888986
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-chlorophenyl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 39854547
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
furan-2-yl-[4-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]piperazin-1-yl]methanone
CID 35523602

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-(furan-2-yl)-3-hydroxypropyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[(3S)-3-(furan-2-yl)-3-hydroxypropyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (CID 95740980) is N-[(3S)-3-(furan-2-yl)-3-hydroxypropyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(3S)-3-(furan-2-yl)-3-hydroxypropyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[(3S)-3-(furan-2-yl)-3-hydroxypropyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is O=C(NCC[C@H](O)c1ccco1)c1ccc(Cn2cccn2)o1.
What is the InChIKey of N-[(3S)-3-(furan-2-yl)-3-hydroxypropyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The InChIKey is AFVDQGAPHSNNFU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17N3O4/c20-13(14-3-1-10-22-14)6-8-17-16(21)15-5-4-12(23-15)11-19-9-2-7-18-19/h1-5,7,9-10,13,20H,6,8,11H2,(H,17,21)/t13-/m0/s1.
What are the key properties of N-[(3S)-3-(furan-2-yl)-3-hydroxypropyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
N-[(3S)-3-(furan-2-yl)-3-hydroxypropyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-(furan-2-yl)-3-hydroxypropyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 95740980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).