N-[[2-(3-ethoxypropyl)pyrazol-3-yl]methyl]cyclopropanamine

C12H21N3O — CID 65178386

IUPACN-[[2-(3-ethoxypropyl)pyrazol-3-yl]methyl]cyclopropanamine
SMILESCCOCCCn1nccc1CNC1CC1
InChIInChI=1S/C12H21N3O/c1-2-16-9-3-8-15-12(6-7-14-15)10-13-11-4-5-11/h6-7,11,13H,2-5,8-10H2,1H3
InChIKeyKGSIRFNKUSYXHL-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.56
Rot. Bonds8

About N-[[2-(3-ethoxypropyl)pyrazol-3-yl]methyl]cyclopropanamine

N-[[2-(3-ethoxypropyl)pyrazol-3-yl]methyl]cyclopropanamine (PubChem CID 65178386) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[[2-(3-ethoxypropyl)pyrazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-ethoxypropyl)pyrazol-3-yl]methyl]cyclopropanamine
PubChem CID65178386
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[[2-(3-ethoxypropyl)pyrazol-3-yl]methyl]cyclopropanamine
SMILESCCOCCCn1nccc1CNC1CC1
InChIInChI=1S/C12H21N3O/c1-2-16-9-3-8-15-12(6-7-14-15)10-13-11-4-5-11/h6-7,11,13H,2-5,8-10H2,1H3
InChIKeyKGSIRFNKUSYXHL-UHFFFAOYSA-N
XLogP1.56
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.56
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

4-ethyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 114555631
4-propyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 114555646
N-[[2-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]methyl]cyclopropanamine
CID 65441861
N-[(2-ethylpyrazol-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114555002
N-[[1-(3-ethoxypropyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 65178499
N-[(2-ethylpyrazol-3-yl)methyl]-1-methylpiperidin-3-amine
CID 115762067
N-[(2-ethylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)piperidin-4-amine
CID 126835878
3,3-dimethyl-N-[(2-propylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 114556221
N-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 115761672
N-[(2-ethylpyrazol-3-yl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 113334912
tert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]cyclohexyl]carbamate
CID 103845092
4-N-[(2-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 62320335

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethoxypropyl)pyrazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-ethoxypropyl)pyrazol-3-yl]methyl]cyclopropanamine (CID 65178386) is N-[[2-(3-ethoxypropyl)pyrazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-ethoxypropyl)pyrazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-ethoxypropyl)pyrazol-3-yl]methyl]cyclopropanamine is CCOCCCn1nccc1CNC1CC1.
What is the InChIKey of N-[[2-(3-ethoxypropyl)pyrazol-3-yl]methyl]cyclopropanamine?
The InChIKey is KGSIRFNKUSYXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-16-9-3-8-15-12(6-7-14-15)10-13-11-4-5-11/h6-7,11,13H,2-5,8-10H2,1H3.
What are the key properties of N-[[2-(3-ethoxypropyl)pyrazol-3-yl]methyl]cyclopropanamine?
N-[[2-(3-ethoxypropyl)pyrazol-3-yl]methyl]cyclopropanamine has a molecular weight of 223.32 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethoxypropyl)pyrazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65178386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).