2-[4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]phenyl]acetonitrile

C14H17N5 — CID 66013634

IUPAC2-[4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]phenyl]acetonitrile
SMILESCCn1nc(C)c(N)c1Nc1ccc(CC#N)cc1
InChIInChI=1S/C14H17N5/c1-3-19-14(13(16)10(2)18-19)17-12-6-4-11(5-7-12)8-9-15/h4-7,17H,3,8,16H2,1-2H3
InChIKeyPGKAMZZVSXSGSK-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.60
Rot. Bonds4

About 2-[4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]phenyl]acetonitrile

2-[4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]phenyl]acetonitrile (PubChem CID 66013634) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]phenyl]acetonitrile
PubChem CID66013634
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name2-[4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]phenyl]acetonitrile
SMILESCCn1nc(C)c(N)c1Nc1ccc(CC#N)cc1
InChIInChI=1S/C14H17N5/c1-3-19-14(13(16)10(2)18-19)17-12-6-4-11(5-7-12)8-9-15/h4-7,17H,3,8,16H2,1-2H3
InChIKeyPGKAMZZVSXSGSK-UHFFFAOYSA-N
XLogP2.60
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]phenyl]acetonitrile?
The IUPAC name of 2-[4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]phenyl]acetonitrile (CID 66013634) is 2-[4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]phenyl]acetonitrile is CCn1nc(C)c(N)c1Nc1ccc(CC#N)cc1.
What is the InChIKey of 2-[4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]phenyl]acetonitrile?
The InChIKey is PGKAMZZVSXSGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-3-19-14(13(16)10(2)18-19)17-12-6-4-11(5-7-12)8-9-15/h4-7,17H,3,8,16H2,1-2H3.
What are the key properties of 2-[4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]phenyl]acetonitrile?
2-[4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]phenyl]acetonitrile has a molecular weight of 255.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]phenyl]acetonitrile is sourced from PubChem (CID 66013634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).