N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-4-(1H-pyrazol-4-yl)benzamide

C18H19N3O3 — CID 154877114

IUPACN-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESO=C(NCC(CO)Cc1ccco1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C18H19N3O3/c22-12-13(8-17-2-1-7-24-17)9-19-18(23)15-5-3-14(4-6-15)16-10-20-21-11-16/h1-7,10-11,13,22H,8-9,12H2,(H,19,23)(H,20,21)
InChIKeyYALIXRMPWZTQAL-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.25
Rot. Bonds7

About N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-4-(1H-pyrazol-4-yl)benzamide

N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 154877114) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-4-(1H-pyrazol-4-yl)benzamide
PubChem CID154877114
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESO=C(NCC(CO)Cc1ccco1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C18H19N3O3/c22-12-13(8-17-2-1-7-24-17)9-19-18(23)15-5-3-14(4-6-15)16-10-20-21-11-16/h1-7,10-11,13,22H,8-9,12H2,(H,19,23)(H,20,21)
InChIKeyYALIXRMPWZTQAL-UHFFFAOYSA-N
XLogP2.25
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(furan-2-ylmethyl)-3-hydroxypropyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 96578149
N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 72873733
ethyl 4-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]carbamoylamino]benzoate
CID 42944313
N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 77080556
(3R)-3-(furan-2-ylmethyl)-4-hydroxybutanoic acid
CID 142030961
1-[(2S)-2-(furan-2-ylmethyl)-3-hydroxypropyl]-3-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]urea
CID 97453437
1-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-3-(4-nitrophenyl)urea
CID 42944308
N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
CID 70774373
ethyl 4-(1H-pyrazol-4-yl)benzoate
CID 121435985
1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[(2S)-2-(furan-2-ylmethyl)-3-hydroxypropyl]urea
CID 125165565
N-(furan-2-ylmethyl)-4-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 53149916
2-(furan-2-ylmethyl)-3-(4-methylphenoxy)propan-1-ol
CID 117246279

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-4-(1H-pyrazol-4-yl)benzamide (CID 154877114) is N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-4-(1H-pyrazol-4-yl)benzamide is O=C(NCC(CO)Cc1ccco1)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is YALIXRMPWZTQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-12-13(8-17-2-1-7-24-17)9-19-18(23)15-5-3-14(4-6-15)16-10-20-21-11-16/h1-7,10-11,13,22H,8-9,12H2,(H,19,23)(H,20,21).
What are the key properties of N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-4-(1H-pyrazol-4-yl)benzamide?
N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 325.37 g/mol, XLogP of 2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 154877114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).