5-chloro-N-[5-[4-(oxan-2-yloxy)phenyl]-1H-pyrazol-3-yl]pentanamide

C19H24ClN3O3 — CID 91068471

IUPAC5-chloro-N-[5-[4-(oxan-2-yloxy)phenyl]-1H-pyrazol-3-yl]pentanamide
SMILESO=C(CCCCCl)Nc1cc(-c2ccc(OC3CCCCO3)cc2)[nH]n1
InChIInChI=1S/C19H24ClN3O3/c20-11-3-1-5-18(24)21-17-13-16(22-23-17)14-7-9-15(10-8-14)26-19-6-2-4-12-25-19/h7-10,13,19H,1-6,11-12H2,(H2,21,22,23,24)
InChIKeyHUNRNKYCODEKJA-UHFFFAOYSA-N
MW377.87 g/mol
LogP4.33
Rot. Bonds8

About 5-chloro-N-[5-[4-(oxan-2-yloxy)phenyl]-1H-pyrazol-3-yl]pentanamide

5-chloro-N-[5-[4-(oxan-2-yloxy)phenyl]-1H-pyrazol-3-yl]pentanamide (PubChem CID 91068471) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is 5-chloro-N-[5-[4-(oxan-2-yloxy)phenyl]-1H-pyrazol-3-yl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[5-[4-(oxan-2-yloxy)phenyl]-1H-pyrazol-3-yl]pentanamide
PubChem CID91068471
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name5-chloro-N-[5-[4-(oxan-2-yloxy)phenyl]-1H-pyrazol-3-yl]pentanamide
SMILESO=C(CCCCCl)Nc1cc(-c2ccc(OC3CCCCO3)cc2)[nH]n1
InChIInChI=1S/C19H24ClN3O3/c20-11-3-1-5-18(24)21-17-13-16(22-23-17)14-7-9-15(10-8-14)26-19-6-2-4-12-25-19/h7-10,13,19H,1-6,11-12H2,(H2,21,22,23,24)
InChIKeyHUNRNKYCODEKJA-UHFFFAOYSA-N
XLogP4.33
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 25029711
4-(oxan-2-yloxy)benzoic acid
CID 11183645
2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
CID 124606152
N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 59174009
N-[4-(oxan-2-yloxy)phenyl]prop-2-enamide
CID 143844107
4-(2,6-dimethylpiperidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide
CID 143928673
(2R)-2-(4-phenylphenoxy)oxane
CID 95989396
1-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one
CID 157467206
6-[4-(oxan-2-yloxy)phenoxy]hexan-1-ol
CID 70836225
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloropentanamide
CID 104617741
4-(oxan-2-yloxy)phenol
CID 11745519
4-pyrrolidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide
CID 59173832

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-[4-(oxan-2-yloxy)phenyl]-1H-pyrazol-3-yl]pentanamide?
The IUPAC name of 5-chloro-N-[5-[4-(oxan-2-yloxy)phenyl]-1H-pyrazol-3-yl]pentanamide (CID 91068471) is 5-chloro-N-[5-[4-(oxan-2-yloxy)phenyl]-1H-pyrazol-3-yl]pentanamide.
What is the SMILES notation for 5-chloro-N-[5-[4-(oxan-2-yloxy)phenyl]-1H-pyrazol-3-yl]pentanamide?
The canonical SMILES for 5-chloro-N-[5-[4-(oxan-2-yloxy)phenyl]-1H-pyrazol-3-yl]pentanamide is O=C(CCCCCl)Nc1cc(-c2ccc(OC3CCCCO3)cc2)[nH]n1.
What is the InChIKey of 5-chloro-N-[5-[4-(oxan-2-yloxy)phenyl]-1H-pyrazol-3-yl]pentanamide?
The InChIKey is HUNRNKYCODEKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c20-11-3-1-5-18(24)21-17-13-16(22-23-17)14-7-9-15(10-8-14)26-19-6-2-4-12-25-19/h7-10,13,19H,1-6,11-12H2,(H2,21,22,23,24).
What are the key properties of 5-chloro-N-[5-[4-(oxan-2-yloxy)phenyl]-1H-pyrazol-3-yl]pentanamide?
5-chloro-N-[5-[4-(oxan-2-yloxy)phenyl]-1H-pyrazol-3-yl]pentanamide has a molecular weight of 377.87 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-[4-(oxan-2-yloxy)phenyl]-1H-pyrazol-3-yl]pentanamide is sourced from PubChem (CID 91068471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).