N'-[5-cyclobutyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine

C17H24N4O — CID 117210662

IUPACN'-[5-cyclobutyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine
SMILESCOc1cccc(-n2ncc(NCCCN)c2C2CCC2)c1
InChIInChI=1S/C17H24N4O/c1-22-15-8-3-7-14(11-15)21-17(13-5-2-6-13)16(12-20-21)19-10-4-9-18/h3,7-8,11-13,19H,2,4-6,9-10,18H2,1H3
InChIKeyJKVMKYWHJNLJHC-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.91
Rot. Bonds7

About N'-[5-cyclobutyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine

N'-[5-cyclobutyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine (PubChem CID 117210662) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N'-[5-cyclobutyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[5-cyclobutyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine
PubChem CID117210662
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN'-[5-cyclobutyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine
SMILESCOc1cccc(-n2ncc(NCCCN)c2C2CCC2)c1
InChIInChI=1S/C17H24N4O/c1-22-15-8-3-7-14(11-15)21-17(13-5-2-6-13)16(12-20-21)19-10-4-9-18/h3,7-8,11-13,19H,2,4-6,9-10,18H2,1H3
InChIKeyJKVMKYWHJNLJHC-UHFFFAOYSA-N
XLogP2.91
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(3-aminopropylamino)-5-cyclohexylpyrazol-1-yl]phenol
CID 117210688
N'-(5-cyclopropyl-1-phenylpyrazol-4-yl)propane-1,3-diamine
CID 117210426
N'-[5-ethyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine
CID 117210740
N'-[5-cyclopropyl-1-(2-fluorophenyl)pyrazol-4-yl]propane-1,3-diamine
CID 117210819
N'-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine
CID 117210831
N'-[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine
CID 117210552
N'-[1-(3-methylphenyl)-5-propan-2-ylpyrazol-4-yl]propane-1,3-diamine
CID 117210731
N-ethyl-1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 114797992
[5-bromo-1-(3-methoxyphenyl)pyrazol-4-yl]methanamine
CID 115051851
N'-(1,5-diphenylpyrazol-4-yl)propane-1,3-diamine
CID 117210495
[1-(3-methoxyphenyl)-5-propylpyrazol-4-yl]methanamine
CID 114798972
N'-[4-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211444

Frequently Asked Questions

What is the IUPAC name of N'-[5-cyclobutyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine?
The IUPAC name of N'-[5-cyclobutyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine (CID 117210662) is N'-[5-cyclobutyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine.
What is the SMILES notation for N'-[5-cyclobutyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine?
The canonical SMILES for N'-[5-cyclobutyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine is COc1cccc(-n2ncc(NCCCN)c2C2CCC2)c1.
What is the InChIKey of N'-[5-cyclobutyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine?
The InChIKey is JKVMKYWHJNLJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-22-15-8-3-7-14(11-15)21-17(13-5-2-6-13)16(12-20-21)19-10-4-9-18/h3,7-8,11-13,19H,2,4-6,9-10,18H2,1H3.
What are the key properties of N'-[5-cyclobutyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine?
N'-[5-cyclobutyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine has a molecular weight of 300.41 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-cyclobutyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine is sourced from PubChem (CID 117210662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).