4-[1-(1H-pyrazol-5-yl)ethylamino]benzonitrile

C12H12N4 — CID 60972524

IUPAC4-[1-(1H-pyrazol-5-yl)ethylamino]benzonitrile
SMILESCC(Nc1ccc(C#N)cc1)c1ccn[nH]1
InChIInChI=1S/C12H12N4/c1-9(12-6-7-14-16-12)15-11-4-2-10(8-13)3-5-11/h2-7,9,15H,1H3,(H,14,16)
InChIKeyUSCLRIVKGWIPMV-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.45
Rot. Bonds3

About 4-[1-(1H-pyrazol-5-yl)ethylamino]benzonitrile

4-[1-(1H-pyrazol-5-yl)ethylamino]benzonitrile (PubChem CID 60972524) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 4-[1-(1H-pyrazol-5-yl)ethylamino]benzonitrile.

Molecular Properties

Compound Name4-[1-(1H-pyrazol-5-yl)ethylamino]benzonitrile
PubChem CID60972524
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name4-[1-(1H-pyrazol-5-yl)ethylamino]benzonitrile
SMILESCC(Nc1ccc(C#N)cc1)c1ccn[nH]1
InChIInChI=1S/C12H12N4/c1-9(12-6-7-14-16-12)15-11-4-2-10(8-13)3-5-11/h2-7,9,15H,1H3,(H,14,16)
InChIKeyUSCLRIVKGWIPMV-UHFFFAOYSA-N
XLogP2.45
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfanyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 60971775
3-fluoro-4-methyl-5-[1-(1H-pyrazol-5-yl)ethylamino]benzonitrile
CID 54881919
4-[1-(4-cyanoanilino)ethyl]benzonitrile
CID 43195294
N-[1-(1H-pyrazol-5-yl)ethyl]pyrimidin-5-amine
CID 107587588
N-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]ethanesulfonamide
CID 60972556
N-propan-2-yl-4-[1-(1H-pyrazol-5-yl)ethylamino]benzamide
CID 60971796
3-iodo-4-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 60972545
3,4-dimethoxy-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 54881496
N,N-dimethyl-2-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]acetamide
CID 60971929
3-fluoro-5-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 79055182
N-[1-(1H-pyrazol-5-yl)ethyl]quinolin-6-amine
CID 55097402
N-[1-(1H-pyrazol-5-yl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 54881348

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1H-pyrazol-5-yl)ethylamino]benzonitrile?
The IUPAC name of 4-[1-(1H-pyrazol-5-yl)ethylamino]benzonitrile (CID 60972524) is 4-[1-(1H-pyrazol-5-yl)ethylamino]benzonitrile.
What is the SMILES notation for 4-[1-(1H-pyrazol-5-yl)ethylamino]benzonitrile?
The canonical SMILES for 4-[1-(1H-pyrazol-5-yl)ethylamino]benzonitrile is CC(Nc1ccc(C#N)cc1)c1ccn[nH]1.
What is the InChIKey of 4-[1-(1H-pyrazol-5-yl)ethylamino]benzonitrile?
The InChIKey is USCLRIVKGWIPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-9(12-6-7-14-16-12)15-11-4-2-10(8-13)3-5-11/h2-7,9,15H,1H3,(H,14,16).
What are the key properties of 4-[1-(1H-pyrazol-5-yl)ethylamino]benzonitrile?
4-[1-(1H-pyrazol-5-yl)ethylamino]benzonitrile has a molecular weight of 212.26 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1H-pyrazol-5-yl)ethylamino]benzonitrile is sourced from PubChem (CID 60972524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).