2-[2-amino-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]phenyl]acetonitrile

C15H19N5 — CID 102624210

IUPAC2-[2-amino-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]phenyl]acetonitrile
SMILESCc1[nH]ncc1CCCNc1ccc(N)c(CC#N)c1
InChIInChI=1S/C15H19N5/c1-11-13(10-19-20-11)3-2-8-18-14-4-5-15(17)12(9-14)6-7-16/h4-5,9-10,18H,2-3,6,8,17H2,1H3,(H,19,20)
InChIKeyFNMKTOFNTJEOIQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.41
Rot. Bonds6

About 2-[2-amino-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]phenyl]acetonitrile

2-[2-amino-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]phenyl]acetonitrile (PubChem CID 102624210) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[2-amino-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-amino-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]phenyl]acetonitrile
PubChem CID102624210
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name2-[2-amino-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]phenyl]acetonitrile
SMILESCc1[nH]ncc1CCCNc1ccc(N)c(CC#N)c1
InChIInChI=1S/C15H19N5/c1-11-13(10-19-20-11)3-2-8-18-14-4-5-15(17)12(9-14)6-7-16/h4-5,9-10,18H,2-3,6,8,17H2,1H3,(H,19,20)
InChIKeyFNMKTOFNTJEOIQ-UHFFFAOYSA-N
XLogP2.41
TPSA90.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-amino-5-[3-(1H-imidazol-2-yl)propylamino]phenyl]acetonitrile
CID 102624716
5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2,5-diamine
CID 62040677
1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-4-nitrobenzene-1,3-diamine
CID 106749219
2-[2-amino-5-(3-methylsulfanylpropylamino)phenyl]acetonitrile
CID 102624367
N-[3-[4-amino-3-(cyanomethyl)anilino]propyl]methanesulfonamide
CID 106333705
2-[2-amino-5-(6-hydroxyhexylamino)phenyl]acetonitrile
CID 107843953
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-4-(trifluoromethyl)aniline
CID 62648618
2-[2-amino-5-[2-(4-fluoro-2-methylphenyl)ethylamino]phenyl]acetonitrile
CID 102624530
2-[2-amino-5-(2-phenylethylamino)phenyl]acetonitrile
CID 102623736
2-methyl-1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzene-1,4-diamine
CID 62041099
2-[2-amino-5-[2-(3,5-difluorophenyl)ethylamino]phenyl]acetonitrile
CID 102624259
2-(difluoromethyl)-1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzene-1,4-diamine
CID 63734281

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]phenyl]acetonitrile?
The IUPAC name of 2-[2-amino-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]phenyl]acetonitrile (CID 102624210) is 2-[2-amino-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]phenyl]acetonitrile.
What is the SMILES notation for 2-[2-amino-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]phenyl]acetonitrile?
The canonical SMILES for 2-[2-amino-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]phenyl]acetonitrile is Cc1[nH]ncc1CCCNc1ccc(N)c(CC#N)c1.
What is the InChIKey of 2-[2-amino-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]phenyl]acetonitrile?
The InChIKey is FNMKTOFNTJEOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-11-13(10-19-20-11)3-2-8-18-14-4-5-15(17)12(9-14)6-7-16/h4-5,9-10,18H,2-3,6,8,17H2,1H3,(H,19,20).
What are the key properties of 2-[2-amino-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]phenyl]acetonitrile?
2-[2-amino-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]phenyl]acetonitrile has a molecular weight of 269.35 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]phenyl]acetonitrile is sourced from PubChem (CID 102624210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).