N-[1-[4-(3-pyridin-3-ylpropylcarbamoyl)phenyl]pyrazol-4-yl]oxolane-3-carboxamide

C23H25N5O3 — CID 126466386

IUPACN-[1-[4-(3-pyridin-3-ylpropylcarbamoyl)phenyl]pyrazol-4-yl]oxolane-3-carboxamide
SMILESO=C(NCCCc1cccnc1)c1ccc(-n2cc(NC(=O)C3CCOC3)cn2)cc1
InChIInChI=1S/C23H25N5O3/c29-22(25-11-2-4-17-3-1-10-24-13-17)18-5-7-21(8-6-18)28-15-20(14-26-28)27-23(30)19-9-12-31-16-19/h1,3,5-8,10,13-15,19H,2,4,9,11-12,16H2,(H,25,29)(H,27,30)
InChIKeyCVDMUDBLUKOLIT-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.60
Rot. Bonds8

About N-[1-[4-(3-pyridin-3-ylpropylcarbamoyl)phenyl]pyrazol-4-yl]oxolane-3-carboxamide

N-[1-[4-(3-pyridin-3-ylpropylcarbamoyl)phenyl]pyrazol-4-yl]oxolane-3-carboxamide (PubChem CID 126466386) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[1-[4-(3-pyridin-3-ylpropylcarbamoyl)phenyl]pyrazol-4-yl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(3-pyridin-3-ylpropylcarbamoyl)phenyl]pyrazol-4-yl]oxolane-3-carboxamide
PubChem CID126466386
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-[1-[4-(3-pyridin-3-ylpropylcarbamoyl)phenyl]pyrazol-4-yl]oxolane-3-carboxamide
SMILESO=C(NCCCc1cccnc1)c1ccc(-n2cc(NC(=O)C3CCOC3)cn2)cc1
InChIInChI=1S/C23H25N5O3/c29-22(25-11-2-4-17-3-1-10-24-13-17)18-5-7-21(8-6-18)28-15-20(14-26-28)27-23(30)19-9-12-31-16-19/h1,3,5-8,10,13-15,19H,2,4,9,11-12,16H2,(H,25,29)(H,27,30)
InChIKeyCVDMUDBLUKOLIT-UHFFFAOYSA-N
XLogP2.60
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-[1-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]phenyl]pyrazol-4-yl]oxolane-3-carboxamide
CID 42439723
N-[1-[4-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide
CID 42437402
N-[1-[4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]phenyl]pyrazol-4-yl]oxolane-3-carboxamide
CID 45201102
N-[1-[4-[cyclobutylmethyl(oxolan-2-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide
CID 45200035
1-(oxolan-3-yl)-3-pyridin-3-ylpropan-1-one
CID 105099703
N-[2-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 45198635
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
(3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide
CID 97428174
[(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 97470540
4-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 35993710
5-oxo-1-phenyl-N-(3-pyridin-3-ylpropyl)pyrrolidine-2-carboxamide
CID 110607112
(3R)-N-[1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]pyrazol-4-yl]oxolane-3-carboxamide
CID 99875998

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3-pyridin-3-ylpropylcarbamoyl)phenyl]pyrazol-4-yl]oxolane-3-carboxamide?
The IUPAC name of N-[1-[4-(3-pyridin-3-ylpropylcarbamoyl)phenyl]pyrazol-4-yl]oxolane-3-carboxamide (CID 126466386) is N-[1-[4-(3-pyridin-3-ylpropylcarbamoyl)phenyl]pyrazol-4-yl]oxolane-3-carboxamide.
What is the SMILES notation for N-[1-[4-(3-pyridin-3-ylpropylcarbamoyl)phenyl]pyrazol-4-yl]oxolane-3-carboxamide?
The canonical SMILES for N-[1-[4-(3-pyridin-3-ylpropylcarbamoyl)phenyl]pyrazol-4-yl]oxolane-3-carboxamide is O=C(NCCCc1cccnc1)c1ccc(-n2cc(NC(=O)C3CCOC3)cn2)cc1.
What is the InChIKey of N-[1-[4-(3-pyridin-3-ylpropylcarbamoyl)phenyl]pyrazol-4-yl]oxolane-3-carboxamide?
The InChIKey is CVDMUDBLUKOLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c29-22(25-11-2-4-17-3-1-10-24-13-17)18-5-7-21(8-6-18)28-15-20(14-26-28)27-23(30)19-9-12-31-16-19/h1,3,5-8,10,13-15,19H,2,4,9,11-12,16H2,(H,25,29)(H,27,30).
What are the key properties of N-[1-[4-(3-pyridin-3-ylpropylcarbamoyl)phenyl]pyrazol-4-yl]oxolane-3-carboxamide?
N-[1-[4-(3-pyridin-3-ylpropylcarbamoyl)phenyl]pyrazol-4-yl]oxolane-3-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3-pyridin-3-ylpropylcarbamoyl)phenyl]pyrazol-4-yl]oxolane-3-carboxamide is sourced from PubChem (CID 126466386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).