4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]benzonitrile

C15H18N4 — CID 60776965

IUPAC4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]benzonitrile
SMILESCc1nn(C)c(C)c1CNCc1ccc(C#N)cc1
InChIInChI=1S/C15H18N4/c1-11-15(12(2)19(3)18-11)10-17-9-14-6-4-13(8-16)5-7-14/h4-7,17H,9-10H2,1-3H3
InChIKeyBSEAXWSFYJEQQM-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.20
Rot. Bonds4

About 4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]benzonitrile

4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]benzonitrile (PubChem CID 60776965) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]benzonitrile
PubChem CID60776965
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]benzonitrile
SMILESCc1nn(C)c(C)c1CNCc1ccc(C#N)cc1
InChIInChI=1S/C15H18N4/c1-11-15(12(2)19(3)18-11)10-17-9-14-6-4-13(8-16)5-7-14/h4-7,17H,9-10H2,1-3H3
InChIKeyBSEAXWSFYJEQQM-UHFFFAOYSA-N
XLogP2.20
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 28738492
1-pyridin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 28670467
1-(4-bromo-3-methylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 79174504
3-chloro-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzonitrile
CID 79236702
4-[[(4-cyanophenyl)methylamino]methyl]benzonitrile;hydrochloride
CID 44629811
4-[[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]methyl]benzonitrile
CID 43647628
2-chloro-4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol
CID 78960630
1-(5-methyl-3-pyridinyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 103864327
1-(1-propylpyrrol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 79236414
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 122165886
4-acetyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzonitrile
CID 133457205
3-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]prop-2-yn-1-amine
CID 78995583

Frequently Asked Questions

What is the IUPAC name of 4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]benzonitrile?
The IUPAC name of 4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]benzonitrile (CID 60776965) is 4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]benzonitrile.
What is the SMILES notation for 4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]benzonitrile?
The canonical SMILES for 4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]benzonitrile is Cc1nn(C)c(C)c1CNCc1ccc(C#N)cc1.
What is the InChIKey of 4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]benzonitrile?
The InChIKey is BSEAXWSFYJEQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-11-15(12(2)19(3)18-11)10-17-9-14-6-4-13(8-16)5-7-14/h4-7,17H,9-10H2,1-3H3.
What are the key properties of 4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]benzonitrile?
4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]benzonitrile has a molecular weight of 254.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]benzonitrile is sourced from PubChem (CID 60776965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).