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

C14H17N5 — CID 102624011

IUPAC2-[2-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]acetonitrile
SMILESCN(Cc1cnn(C)c1)c1ccc(N)c(CC#N)c1
InChIInChI=1S/C14H17N5/c1-18(9-11-8-17-19(2)10-11)13-3-4-14(16)12(7-13)5-6-15/h3-4,7-8,10H,5,9,16H2,1-2H3
InChIKeyCDRCZGUPSIXDOX-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.70
Rot. Bonds4

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

2-[2-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]acetonitrile (PubChem CID 102624011) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[2-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]acetonitrile
PubChem CID102624011
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name2-[2-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]acetonitrile
SMILESCN(Cc1cnn(C)c1)c1ccc(N)c(CC#N)c1
InChIInChI=1S/C14H17N5/c1-18(9-11-8-17-19(2)10-11)13-3-4-14(16)12(7-13)5-6-15/h3-4,7-8,10H,5,9,16H2,1-2H3
InChIKeyCDRCZGUPSIXDOX-UHFFFAOYSA-N
XLogP1.70
TPSA70.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-amino-5-[methyl(pyridin-4-ylmethyl)amino]phenyl]acetonitrile
CID 102623899
2-[2-amino-5-[benzyl(methyl)amino]phenyl]acetonitrile
CID 102623676
2-ethoxy-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine
CID 63672184
2-methyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzonitrile
CID 81281986
4-(aminomethyl)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 55154692
2-[2-amino-5-[(2-fluorophenyl)methyl-methylamino]phenyl]acetonitrile
CID 102623910
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-nitroaniline
CID 31921129
6-N-methyl-6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 79827181
2-bromo-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzenecarbothioamide
CID 107277474
(1R)-1-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]ethanol
CID 55183379
4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3,4-diamine
CID 61438479
3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]naphthalen-2-amine
CID 61439662

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]acetonitrile?
The IUPAC name of 2-[2-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]acetonitrile (CID 102624011) is 2-[2-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]acetonitrile.
What is the SMILES notation for 2-[2-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]acetonitrile?
The canonical SMILES for 2-[2-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]acetonitrile is CN(Cc1cnn(C)c1)c1ccc(N)c(CC#N)c1.
What is the InChIKey of 2-[2-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]acetonitrile?
The InChIKey is CDRCZGUPSIXDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-18(9-11-8-17-19(2)10-11)13-3-4-14(16)12(7-13)5-6-15/h3-4,7-8,10H,5,9,16H2,1-2H3.
What are the key properties of 2-[2-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]acetonitrile?
2-[2-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]acetonitrile has a molecular weight of 255.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]acetonitrile is sourced from PubChem (CID 102624011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).