2-[[[3-(4-cyanophenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-4-methylpentanoic acid

C19H24N4O2 — CID 122127805

IUPAC2-[[[3-(4-cyanophenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNCc1cn(C)nc1-c1ccc(C#N)cc1)C(=O)O
InChIInChI=1S/C19H24N4O2/c1-13(2)8-16(19(24)25)10-21-11-17-12-23(3)22-18(17)15-6-4-14(9-20)5-7-15/h4-7,12-13,16,21H,8,10-11H2,1-3H3,(H,24,25)
InChIKeySZWGQSHARCOUAZ-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.80
Rot. Bonds8

About 2-[[[3-(4-cyanophenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-4-methylpentanoic acid

2-[[[3-(4-cyanophenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-4-methylpentanoic acid (PubChem CID 122127805) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[[[3-(4-cyanophenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[[3-(4-cyanophenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-4-methylpentanoic acid
PubChem CID122127805
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-[[[3-(4-cyanophenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNCc1cn(C)nc1-c1ccc(C#N)cc1)C(=O)O
InChIInChI=1S/C19H24N4O2/c1-13(2)8-16(19(24)25)10-21-11-17-12-23(3)22-18(17)15-6-4-14(9-20)5-7-15/h4-7,12-13,16,21H,8,10-11H2,1-3H3,(H,24,25)
InChIKeySZWGQSHARCOUAZ-UHFFFAOYSA-N
XLogP2.80
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[[3-(4-cyanophenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylamino]methyl]-4-methylpentanoic acid
CID 122127612
2-[[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methylamino]methyl]-4-methylpentanoic acid
CID 122128147
4-[4-[(cyclopropylamino)methyl]-1-methylpyrazol-3-yl]benzonitrile
CID 79485147
4-[4-(chloromethyl)-1-methylpyrazol-3-yl]benzonitrile
CID 75480452
2-[[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]-4-methylpentanoic acid
CID 122073025
2-[[[1-tert-butyl-3-(3-methoxyphenyl)pyrazol-4-yl]methylamino]methyl]-4-methylpentanoic acid
CID 122073256
N-[[3-(4-cyanophenyl)-1-methylpyrazol-4-yl]methyl]-3,3-dimethyl-4-phenylpyrrolidine-1-carboxamide
CID 154838020
4-methyl-2-[[(1-phenylpyrazol-3-yl)methylamino]methyl]pentanoic acid
CID 122073188
4-[1-methyl-4-[[[(3R)-thiolan-3-yl]amino]methyl]pyrazol-3-yl]benzonitrile
CID 129432487
2-[[(1-benzyl-3-tert-butylpyrazol-4-yl)methylamino]methyl]-4-methylpentanoic acid
CID 122073257
4-[1-methyl-4-[[[3-(methylsulfonylmethyl)cyclobutyl]amino]methyl]pyrazol-3-yl]benzonitrile
CID 166290230
4-[4-[[ethyl(2-hydroxyethyl)amino]methyl]-1-methylpyrazol-3-yl]benzonitrile
CID 110010000

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(4-cyanophenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[[[3-(4-cyanophenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-4-methylpentanoic acid (CID 122127805) is 2-[[[3-(4-cyanophenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[[3-(4-cyanophenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[[[3-(4-cyanophenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-4-methylpentanoic acid is CC(C)CC(CNCc1cn(C)nc1-c1ccc(C#N)cc1)C(=O)O.
What is the InChIKey of 2-[[[3-(4-cyanophenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-4-methylpentanoic acid?
The InChIKey is SZWGQSHARCOUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13(2)8-16(19(24)25)10-21-11-17-12-23(3)22-18(17)15-6-4-14(9-20)5-7-15/h4-7,12-13,16,21H,8,10-11H2,1-3H3,(H,24,25).
What are the key properties of 2-[[[3-(4-cyanophenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-4-methylpentanoic acid?
2-[[[3-(4-cyanophenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-4-methylpentanoic acid has a molecular weight of 340.43 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(4-cyanophenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 122127805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).