4-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid

C18H24N4O3 — CID 122008021

IUPAC4-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid
SMILESCc1c(CNC(=O)NC(CCC(=O)O)Cc2ccccc2)cnn1C
InChIInChI=1S/C18H24N4O3/c1-13-15(12-20-22(13)2)11-19-18(25)21-16(8-9-17(23)24)10-14-6-4-3-5-7-14/h3-7,12,16H,8-11H2,1-2H3,(H,23,24)(H2,19,21,25)
InChIKeyVFJWBDJHRZZZCS-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.00
Rot. Bonds8

About 4-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid

4-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid (PubChem CID 122008021) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid
PubChem CID122008021
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name4-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid
SMILESCc1c(CNC(=O)NC(CCC(=O)O)Cc2ccccc2)cnn1C
InChIInChI=1S/C18H24N4O3/c1-13-15(12-20-22(13)2)11-19-18(25)21-16(8-9-17(23)24)10-14-6-4-3-5-7-14/h3-7,12,16H,8-11H2,1-2H3,(H,23,24)(H2,19,21,25)
InChIKeyVFJWBDJHRZZZCS-UHFFFAOYSA-N
XLogP2.00
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-phenylpentanoic 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

4-[(4-aminopyrimidin-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122028214
4-[(2-methyl-4-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122016072
4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122000992
4-[(4-chloro-1-methylpyrazol-3-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122016344
4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122003736
4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122000939
4-[(2,5-difluorophenyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122000989
(2S)-2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenylbutanamide
CID 106047350
(2R)-5-amino-2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 106037774
5-phenyl-4-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 122027336
4-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122091996
3-cyclopropyl-3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]propanoic acid
CID 106037678

Frequently Asked Questions

What is the IUPAC name of 4-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid (CID 122008021) is 4-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid is Cc1c(CNC(=O)NC(CCC(=O)O)Cc2ccccc2)cnn1C.
What is the InChIKey of 4-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid?
The InChIKey is VFJWBDJHRZZZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13-15(12-20-22(13)2)11-19-18(25)21-16(8-9-17(23)24)10-14-6-4-3-5-7-14/h3-7,12,16H,8-11H2,1-2H3,(H,23,24)(H2,19,21,25).
What are the key properties of 4-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid?
4-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid has a molecular weight of 344.42 g/mol, XLogP of 2.00, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122008021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).