2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]ethanamine

C9H13N5 — CID 114719551

IUPAC2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]ethanamine
SMILESNCCc1cncn1Cc1cn[nH]c1
InChIInChI=1S/C9H13N5/c10-2-1-9-5-11-7-14(9)6-8-3-12-13-4-8/h3-5,7H,1-2,6,10H2,(H,12,13)
InChIKeyWAKJMZNMJIKIPZ-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.16
Rot. Bonds4

About 2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]ethanamine

2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]ethanamine (PubChem CID 114719551) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]ethanamine
PubChem CID114719551
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]ethanamine
SMILESNCCc1cncn1Cc1cn[nH]c1
InChIInChI=1S/C9H13N5/c10-2-1-9-5-11-7-14(9)6-8-3-12-13-4-8/h3-5,7H,1-2,6,10H2,(H,12,13)
InChIKeyWAKJMZNMJIKIPZ-UHFFFAOYSA-N
XLogP0.16
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 107447009
2-(3-benzylimidazol-4-yl)ethanamine
CID 19417806
2-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]ethanamine
CID 106211999
5-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]pyridin-2-amine
CID 114719554
2-[3-(2-methoxyethyl)imidazol-4-yl]ethanamine
CID 114717344
2-(3-prop-2-enylimidazol-4-yl)ethanamine
CID 114717587
2-[3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine
CID 114721839
2-[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]ethanamine
CID 114720975
2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]piperidine
CID 114705336
2-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine
CID 106377565
2-[3-(2-ethylbutyl)imidazol-4-yl]ethanamine
CID 114722545
2-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine
CID 106377472

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]ethanamine (CID 114719551) is 2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]ethanamine is NCCc1cncn1Cc1cn[nH]c1.
What is the InChIKey of 2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]ethanamine?
The InChIKey is WAKJMZNMJIKIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c10-2-1-9-5-11-7-14(9)6-8-3-12-13-4-8/h3-5,7H,1-2,6,10H2,(H,12,13).
What are the key properties of 2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]ethanamine?
2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]ethanamine has a molecular weight of 191.24 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 114719551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).