N-[1-(4-imidazol-1-ylphenyl)ethyl]-1H-pyrazol-4-amine

C14H15N5 — CID 43539832

IUPACN-[1-(4-imidazol-1-ylphenyl)ethyl]-1H-pyrazol-4-amine
SMILESCC(Nc1cn[nH]c1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C14H15N5/c1-11(18-13-8-16-17-9-13)12-2-4-14(5-3-12)19-7-6-15-10-19/h2-11,18H,1H3,(H,16,17)
InChIKeyPTIMTRJIDOJURJ-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.77
Rot. Bonds4

About N-[1-(4-imidazol-1-ylphenyl)ethyl]-1H-pyrazol-4-amine

N-[1-(4-imidazol-1-ylphenyl)ethyl]-1H-pyrazol-4-amine (PubChem CID 43539832) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[1-(4-imidazol-1-ylphenyl)ethyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-1H-pyrazol-4-amine
PubChem CID43539832
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-1H-pyrazol-4-amine
SMILESCC(Nc1cn[nH]c1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C14H15N5/c1-11(18-13-8-16-17-9-13)12-2-4-14(5-3-12)19-7-6-15-10-19/h2-11,18H,1H3,(H,16,17)
InChIKeyPTIMTRJIDOJURJ-UHFFFAOYSA-N
XLogP2.77
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-imidazol-1-ylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 103905169
N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylpyridin-3-amine
CID 103932307
5-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]pyrimidin-2-amine
CID 97116929
N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-4-imidazol-1-ylaniline
CID 97337942
1-[4-[(1R)-1-(sulfamoylamino)ethyl]phenyl]imidazole
CID 97088566
1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43200664
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethoxyethanamine
CID 60815706
4-[1-(1H-pyrazol-4-ylamino)ethyl]benzonitrile
CID 43540037
2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine
CID 113303609
N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methoxypropan-1-amine
CID 43205176
1-[4-[1,2,2-tris(4-imidazol-1-ylphenyl)ethyl]phenyl]imidazole
CID 162718283

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-1H-pyrazol-4-amine?
The IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-1H-pyrazol-4-amine (CID 43539832) is N-[1-(4-imidazol-1-ylphenyl)ethyl]-1H-pyrazol-4-amine.
What is the SMILES notation for N-[1-(4-imidazol-1-ylphenyl)ethyl]-1H-pyrazol-4-amine?
The canonical SMILES for N-[1-(4-imidazol-1-ylphenyl)ethyl]-1H-pyrazol-4-amine is CC(Nc1cn[nH]c1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[1-(4-imidazol-1-ylphenyl)ethyl]-1H-pyrazol-4-amine?
The InChIKey is PTIMTRJIDOJURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-11(18-13-8-16-17-9-13)12-2-4-14(5-3-12)19-7-6-15-10-19/h2-11,18H,1H3,(H,16,17).
What are the key properties of N-[1-(4-imidazol-1-ylphenyl)ethyl]-1H-pyrazol-4-amine?
N-[1-(4-imidazol-1-ylphenyl)ethyl]-1H-pyrazol-4-amine has a molecular weight of 253.31 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-imidazol-1-ylphenyl)ethyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 43539832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).