N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyrrol-1-ylbenzamide

C18H18N4O2 — CID 97427952

IUPACN-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyrrol-1-ylbenzamide
SMILESO=C(Nc1cnn([C@H]2CCOC2)c1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C18H18N4O2/c23-18(14-3-5-16(6-4-14)21-8-1-2-9-21)20-15-11-19-22(12-15)17-7-10-24-13-17/h1-6,8-9,11-12,17H,7,10,13H2,(H,20,23)/t17-/m0/s1
InChIKeyXOFXEFRHKNLBDN-KRWDZBQOSA-N
MW322.37 g/mol
LogP2.89
Rot. Bonds4

About N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyrrol-1-ylbenzamide

N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyrrol-1-ylbenzamide (PubChem CID 97427952) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyrrol-1-ylbenzamide
PubChem CID97427952
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyrrol-1-ylbenzamide
SMILESO=C(Nc1cnn([C@H]2CCOC2)c1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C18H18N4O2/c23-18(14-3-5-16(6-4-14)21-8-1-2-9-21)20-15-11-19-22(12-15)17-7-10-24-13-17/h1-6,8-9,11-12,17H,7,10,13H2,(H,20,23)/t17-/m0/s1
InChIKeyXOFXEFRHKNLBDN-KRWDZBQOSA-N
XLogP2.89
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]carbamoyl]benzoate
CID 97427996
6-oxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide
CID 97427968
3-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]benzamide
CID 97428025
6-oxo-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide
CID 97427967
4-bromo-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
CID 90597657
2-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide
CID 71810085
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]furan-2-carboxamide
CID 97428071
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]thiophene-2-carboxamide
CID 97428073
N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide
CID 99903598
2-cyclopropyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide
CID 97428161
2-methoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]pyridine-3-carboxamide
CID 97428006
(3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide
CID 97428174

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyrrol-1-ylbenzamide (CID 97427952) is N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyrrol-1-ylbenzamide is O=C(Nc1cnn([C@H]2CCOC2)c1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyrrol-1-ylbenzamide?
The InChIKey is XOFXEFRHKNLBDN-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-18(14-3-5-16(6-4-14)21-8-1-2-9-21)20-15-11-19-22(12-15)17-7-10-24-13-17/h1-6,8-9,11-12,17H,7,10,13H2,(H,20,23)/t17-/m0/s1.
What are the key properties of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyrrol-1-ylbenzamide?
N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyrrol-1-ylbenzamide has a molecular weight of 322.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 97427952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).