N-[[1-(3-ethoxypropyl)pyrazol-4-yl]methyl]propan-2-amine

C12H23N3O — CID 65177937

IUPACN-[[1-(3-ethoxypropyl)pyrazol-4-yl]methyl]propan-2-amine
SMILESCCOCCCn1cc(CNC(C)C)cn1
InChIInChI=1S/C12H23N3O/c1-4-16-7-5-6-15-10-12(9-14-15)8-13-11(2)3/h9-11,13H,4-8H2,1-3H3
InChIKeyWAPPRYNJNCXWBV-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.81
Rot. Bonds8

About N-[[1-(3-ethoxypropyl)pyrazol-4-yl]methyl]propan-2-amine

N-[[1-(3-ethoxypropyl)pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 65177937) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[[1-(3-ethoxypropyl)pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(3-ethoxypropyl)pyrazol-4-yl]methyl]propan-2-amine
PubChem CID65177937
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-[[1-(3-ethoxypropyl)pyrazol-4-yl]methyl]propan-2-amine
SMILESCCOCCCn1cc(CNC(C)C)cn1
InChIInChI=1S/C12H23N3O/c1-4-16-7-5-6-15-10-12(9-14-15)8-13-11(2)3/h9-11,13H,4-8H2,1-3H3
InChIKeyWAPPRYNJNCXWBV-UHFFFAOYSA-N
XLogP1.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-heptylpyrazol-4-yl)methyl]propan-2-amine
CID 55111059
3-ethoxy-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propan-1-amine
CID 122166200
N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]methyl]propan-2-amine
CID 103014934
N-[[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 103412837
N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]propan-2-amine
CID 62731582
[1-(2-ethoxyethyl)pyrazol-4-yl]methanol
CID 62731815
4-(chloromethyl)-1-(2-ethoxyethyl)pyrazole
CID 62729841
2-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine
CID 115632221
N-ethyl-1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine
CID 103412841
N-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 61272505
2-methyl-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]methyl]propan-2-amine
CID 62732130
N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]propan-2-amine
CID 65181164

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-ethoxypropyl)pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(3-ethoxypropyl)pyrazol-4-yl]methyl]propan-2-amine (CID 65177937) is N-[[1-(3-ethoxypropyl)pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(3-ethoxypropyl)pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(3-ethoxypropyl)pyrazol-4-yl]methyl]propan-2-amine is CCOCCCn1cc(CNC(C)C)cn1.
What is the InChIKey of N-[[1-(3-ethoxypropyl)pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is WAPPRYNJNCXWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-16-7-5-6-15-10-12(9-14-15)8-13-11(2)3/h9-11,13H,4-8H2,1-3H3.
What are the key properties of N-[[1-(3-ethoxypropyl)pyrazol-4-yl]methyl]propan-2-amine?
N-[[1-(3-ethoxypropyl)pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-ethoxypropyl)pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 65177937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).