N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine

C14H23N5 — CID 64784248

IUPACN-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine
SMILESCCNCc1nccn1Cc1ccn(C(C)CC)n1
InChIInChI=1S/C14H23N5/c1-4-12(3)19-8-6-13(17-19)11-18-9-7-16-14(18)10-15-5-2/h6-9,12,15H,4-5,10-11H2,1-3H3
InChIKeyUXSQZQFFVRVPJI-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.21
Rot. Bonds7

About N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine

N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine (PubChem CID 64784248) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine
PubChem CID64784248
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine
SMILESCCNCc1nccn1Cc1ccn(C(C)CC)n1
InChIInChI=1S/C14H23N5/c1-4-12(3)19-8-6-13(17-19)11-18-9-7-16-14(18)10-15-5-2/h6-9,12,15H,4-5,10-11H2,1-3H3
InChIKeyUXSQZQFFVRVPJI-UHFFFAOYSA-N
XLogP2.21
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]-N-methylmethanamine
CID 64784053
2-methyl-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 66401706
N-[[1-[(5-bromo-2-pyridinyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 113454806
N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride
CID 45156296
N-[[1-(quinolin-2-ylmethyl)imidazol-2-yl]methyl]ethanamine
CID 62222148
4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 55048804
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine
CID 64801963
N-[[1-[(3-ethylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66153964
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanone
CID 79107545
N-[[1-[(3-methylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66142150
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylprop-2-en-1-amine
CID 114616836
N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 42818947

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine (CID 64784248) is N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine is CCNCc1nccn1Cc1ccn(C(C)CC)n1.
What is the InChIKey of N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine?
The InChIKey is UXSQZQFFVRVPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-4-12(3)19-8-6-13(17-19)11-18-9-7-16-14(18)10-15-5-2/h6-9,12,15H,4-5,10-11H2,1-3H3.
What are the key properties of N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine?
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine has a molecular weight of 261.37 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 64784248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).