N-[5-(3-benzamidocyclobutyl)-1H-pyrazol-3-yl]oxane-4-carboxamide

C20H24N4O3 — CID 90987494

IUPACN-[5-(3-benzamidocyclobutyl)-1H-pyrazol-3-yl]oxane-4-carboxamide
SMILESO=C(NC1CC(c2cc(NC(=O)C3CCOCC3)n[nH]2)C1)c1ccccc1
InChIInChI=1S/C20H24N4O3/c25-19(13-4-2-1-3-5-13)21-16-10-15(11-16)17-12-18(24-23-17)22-20(26)14-6-8-27-9-7-14/h1-5,12,14-16H,6-11H2,(H,21,25)(H2,22,23,24,26)
InChIKeyZHKQAAKJNVNXHN-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.45
Rot. Bonds5

About N-[5-(3-benzamidocyclobutyl)-1H-pyrazol-3-yl]oxane-4-carboxamide

N-[5-(3-benzamidocyclobutyl)-1H-pyrazol-3-yl]oxane-4-carboxamide (PubChem CID 90987494) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[5-(3-benzamidocyclobutyl)-1H-pyrazol-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[5-(3-benzamidocyclobutyl)-1H-pyrazol-3-yl]oxane-4-carboxamide
PubChem CID90987494
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[5-(3-benzamidocyclobutyl)-1H-pyrazol-3-yl]oxane-4-carboxamide
SMILESO=C(NC1CC(c2cc(NC(=O)C3CCOCC3)n[nH]2)C1)c1ccccc1
InChIInChI=1S/C20H24N4O3/c25-19(13-4-2-1-3-5-13)21-16-10-15(11-16)17-12-18(24-23-17)22-20(26)14-6-8-27-9-7-14/h1-5,12,14-16H,6-11H2,(H,21,25)(H2,22,23,24,26)
InChIKeyZHKQAAKJNVNXHN-UHFFFAOYSA-N
XLogP2.45
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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(2R,5S)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-5-phenyloxolane-2-carboxamide
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2-(1-methylindol-3-yl)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]acetamide
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CID 155949004
N-(5-cyclohexyl-1H-pyrazol-3-yl)-1,2,4-benzotriazine-3-carboxamide
CID 136543495
[3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] 2-thiophen-2-ylacetate
CID 143054113
N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1,2-oxazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-benzamidocyclobutyl)-1H-pyrazol-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[5-(3-benzamidocyclobutyl)-1H-pyrazol-3-yl]oxane-4-carboxamide (CID 90987494) is N-[5-(3-benzamidocyclobutyl)-1H-pyrazol-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[5-(3-benzamidocyclobutyl)-1H-pyrazol-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[5-(3-benzamidocyclobutyl)-1H-pyrazol-3-yl]oxane-4-carboxamide is O=C(NC1CC(c2cc(NC(=O)C3CCOCC3)n[nH]2)C1)c1ccccc1.
What is the InChIKey of N-[5-(3-benzamidocyclobutyl)-1H-pyrazol-3-yl]oxane-4-carboxamide?
The InChIKey is ZHKQAAKJNVNXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c25-19(13-4-2-1-3-5-13)21-16-10-15(11-16)17-12-18(24-23-17)22-20(26)14-6-8-27-9-7-14/h1-5,12,14-16H,6-11H2,(H,21,25)(H2,22,23,24,26).
What are the key properties of N-[5-(3-benzamidocyclobutyl)-1H-pyrazol-3-yl]oxane-4-carboxamide?
N-[5-(3-benzamidocyclobutyl)-1H-pyrazol-3-yl]oxane-4-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-benzamidocyclobutyl)-1H-pyrazol-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 90987494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).