[3-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine

C14H21N5O — CID 103013049

IUPAC[3-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESCn1nccc1CCn1cncc1C(N)C1CCOC1
InChIInChI=1S/C14H21N5O/c1-18-12(2-5-17-18)3-6-19-10-16-8-13(19)14(15)11-4-7-20-9-11/h2,5,8,10-11,14H,3-4,6-7,9,15H2,1H3
InChIKeyAYCXZIYSCNUHQM-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.90
Rot. Bonds5

About [3-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine

[3-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine (PubChem CID 103013049) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is [3-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name[3-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
PubChem CID103013049
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name[3-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESCn1nccc1CCn1cncc1C(N)C1CCOC1
InChIInChI=1S/C14H21N5O/c1-18-12(2-5-17-18)3-6-19-10-16-8-13(19)14(15)11-4-7-20-9-11/h2,5,8,10-11,14H,3-4,6-7,9,15H2,1H3
InChIKeyAYCXZIYSCNUHQM-UHFFFAOYSA-N
XLogP0.90
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[(4-ethylphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 106901108
(1S)-1-[3-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine
CID 103013036
(2-methylpyrazol-3-yl)-(oxolan-3-yl)methanamine
CID 65330620
3-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N-methylpropanamide
CID 114719199
[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114720232
[3-(cyclopropylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717405
[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114715939
[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 102909124
oxolan-3-yl-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]methanamine
CID 114721830
[3-[(1-methylpiperidin-3-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114718713
[3-[(6-methoxy-3-pyridinyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114720287
[3-(1,4-dioxan-2-ylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114718342

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine?
The IUPAC name of [3-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine (CID 103013049) is [3-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine.
What is the SMILES notation for [3-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine?
The canonical SMILES for [3-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine is Cn1nccc1CCn1cncc1C(N)C1CCOC1.
What is the InChIKey of [3-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine?
The InChIKey is AYCXZIYSCNUHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-18-12(2-5-17-18)3-6-19-10-16-8-13(19)14(15)11-4-7-20-9-11/h2,5,8,10-11,14H,3-4,6-7,9,15H2,1H3.
What are the key properties of [3-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine?
[3-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine has a molecular weight of 275.36 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine is sourced from PubChem (CID 103013049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).