[4-(3-aminopropoxy)piperidin-1-yl]-[5-(2-chlorophenyl)-1H-pyrazol-4-yl]methanone

C18H23ClN4O2 — CID 119664349

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-[5-(2-chlorophenyl)-1H-pyrazol-4-yl]methanone
SMILESNCCCOC1CCN(C(=O)c2cn[nH]c2-c2ccccc2Cl)CC1
InChIInChI=1S/C18H23ClN4O2/c19-16-5-2-1-4-14(16)17-15(12-21-22-17)18(24)23-9-6-13(7-10-23)25-11-3-8-20/h1-2,4-5,12-13H,3,6-11,20H2,(H,21,22)
InChIKeyZDQQDTVZAIKIOP-UHFFFAOYSA-N
MW362.86 g/mol
LogP2.70
Rot. Bonds6

About [4-(3-aminopropoxy)piperidin-1-yl]-[5-(2-chlorophenyl)-1H-pyrazol-4-yl]methanone

[4-(3-aminopropoxy)piperidin-1-yl]-[5-(2-chlorophenyl)-1H-pyrazol-4-yl]methanone (PubChem CID 119664349) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-[5-(2-chlorophenyl)-1H-pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-[5-(2-chlorophenyl)-1H-pyrazol-4-yl]methanone
PubChem CID119664349
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-[5-(2-chlorophenyl)-1H-pyrazol-4-yl]methanone
SMILESNCCCOC1CCN(C(=O)c2cn[nH]c2-c2ccccc2Cl)CC1
InChIInChI=1S/C18H23ClN4O2/c19-16-5-2-1-4-14(16)17-15(12-21-22-17)18(24)23-9-6-13(7-10-23)25-11-3-8-20/h1-2,4-5,12-13H,3,6-11,20H2,(H,21,22)
InChIKeyZDQQDTVZAIKIOP-UHFFFAOYSA-N
XLogP2.70
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-aminopropoxy)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone
CID 107098277
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methanone
CID 119662666
[4-(3-aminopropoxy)piperidin-1-yl]-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]methanone;hydrochloride
CID 119662673
[4-(3-aminopropoxy)piperidin-1-yl]-(5-bromo-2-chlorophenyl)methanone
CID 79736213
[4-(3-aminopropoxy)piperidin-1-yl]-(2-bromo-5-chlorophenyl)methanone;hydrochloride
CID 119664069
(4-aminopiperidin-1-yl)-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 119375415
[4-(3-aminopropoxy)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride
CID 119663041
[4-(3-aminopropoxy)piperidin-1-yl]-(2-bromo-4-chlorophenyl)methanone
CID 103807747
[4-(3-aminopropoxy)piperidin-1-yl]-(5-cyclopropyl-1-phenylpyrazol-4-yl)methanone
CID 119663795
[4-(3-aminopropoxy)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 119664331
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 119662118
[4-(3-aminopropoxy)piperidin-1-yl]-(2-phenoxyphenyl)methanone;hydrochloride
CID 119662357

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-[5-(2-chlorophenyl)-1H-pyrazol-4-yl]methanone?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-[5-(2-chlorophenyl)-1H-pyrazol-4-yl]methanone (CID 119664349) is [4-(3-aminopropoxy)piperidin-1-yl]-[5-(2-chlorophenyl)-1H-pyrazol-4-yl]methanone.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-[5-(2-chlorophenyl)-1H-pyrazol-4-yl]methanone?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-[5-(2-chlorophenyl)-1H-pyrazol-4-yl]methanone is NCCCOC1CCN(C(=O)c2cn[nH]c2-c2ccccc2Cl)CC1.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-[5-(2-chlorophenyl)-1H-pyrazol-4-yl]methanone?
The InChIKey is ZDQQDTVZAIKIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c19-16-5-2-1-4-14(16)17-15(12-21-22-17)18(24)23-9-6-13(7-10-23)25-11-3-8-20/h1-2,4-5,12-13H,3,6-11,20H2,(H,21,22).
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-[5-(2-chlorophenyl)-1H-pyrazol-4-yl]methanone?
[4-(3-aminopropoxy)piperidin-1-yl]-[5-(2-chlorophenyl)-1H-pyrazol-4-yl]methanone has a molecular weight of 362.86 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropoxy)piperidin-1-yl]-[5-(2-chlorophenyl)-1H-pyrazol-4-yl]methanone is sourced from PubChem (CID 119664349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).