3-[3-[(3-cyclopropyl-1-methylpyrazol-5-yl)carbamoylamino]phenyl]propanoic acid

C17H20N4O3 — CID 122094646

IUPAC3-[3-[(3-cyclopropyl-1-methylpyrazol-5-yl)carbamoylamino]phenyl]propanoic acid
SMILESCn1nc(C2CC2)cc1NC(=O)Nc1cccc(CCC(=O)O)c1
InChIInChI=1S/C17H20N4O3/c1-21-15(10-14(20-21)12-6-7-12)19-17(24)18-13-4-2-3-11(9-13)5-8-16(22)23/h2-4,9-10,12H,5-8H2,1H3,(H,22,23)(H2,18,19,24)
InChIKeyFINUORIEXRMZSK-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.96
Rot. Bonds6

About 3-[3-[(3-cyclopropyl-1-methylpyrazol-5-yl)carbamoylamino]phenyl]propanoic acid

3-[3-[(3-cyclopropyl-1-methylpyrazol-5-yl)carbamoylamino]phenyl]propanoic acid (PubChem CID 122094646) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-[3-[(3-cyclopropyl-1-methylpyrazol-5-yl)carbamoylamino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[(3-cyclopropyl-1-methylpyrazol-5-yl)carbamoylamino]phenyl]propanoic acid
PubChem CID122094646
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name3-[3-[(3-cyclopropyl-1-methylpyrazol-5-yl)carbamoylamino]phenyl]propanoic acid
SMILESCn1nc(C2CC2)cc1NC(=O)Nc1cccc(CCC(=O)O)c1
InChIInChI=1S/C17H20N4O3/c1-21-15(10-14(20-21)12-6-7-12)19-17(24)18-13-4-2-3-11(9-13)5-8-16(22)23/h2-4,9-10,12H,5-8H2,1H3,(H,22,23)(H2,18,19,24)
InChIKeyFINUORIEXRMZSK-UHFFFAOYSA-N
XLogP2.96
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[[1-methyl-3-(oxolan-2-yl)pyrazol-5-yl]carbamoylamino]phenyl]propanoic acid
CID 122092032
3-[3-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]phenyl]propanoic acid
CID 115341020
3-[3-[(4-cyclopropyl-2-methylpyrimidin-5-yl)carbamoylamino]phenyl]propanoic acid
CID 122092517
3-[3-[[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]carbamoylamino]phenyl]propanoic acid
CID 122089961
(3-cyclopropyl-1-methylpyrazol-5-yl)carbamic acid
CID 69157729
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-phenylacetamide
CID 134799695
3-[3-[(1-methyl-2,3-dihydroindol-6-yl)carbamoylamino]phenyl]propanoic acid
CID 122088927
3-[3-[[4-(oxolan-3-yl)phenyl]carbamoylamino]phenyl]propanoic acid
CID 122094327
3-[3-(tert-butylcarbamoylamino)phenyl]propanoic acid
CID 115339448
3-[3-(piperidin-4-ylcarbamoylamino)phenyl]propanoic acid
CID 115340762
3-[3-[2-(2-methylpyrazol-3-yl)propanoylamino]phenyl]propanoic acid
CID 122111322
3-[3-(bicyclo[3.1.0]hexane-3-carbonylamino)phenyl]propanoic acid
CID 115339348

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-cyclopropyl-1-methylpyrazol-5-yl)carbamoylamino]phenyl]propanoic acid?
The IUPAC name of 3-[3-[(3-cyclopropyl-1-methylpyrazol-5-yl)carbamoylamino]phenyl]propanoic acid (CID 122094646) is 3-[3-[(3-cyclopropyl-1-methylpyrazol-5-yl)carbamoylamino]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[(3-cyclopropyl-1-methylpyrazol-5-yl)carbamoylamino]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[(3-cyclopropyl-1-methylpyrazol-5-yl)carbamoylamino]phenyl]propanoic acid is Cn1nc(C2CC2)cc1NC(=O)Nc1cccc(CCC(=O)O)c1.
What is the InChIKey of 3-[3-[(3-cyclopropyl-1-methylpyrazol-5-yl)carbamoylamino]phenyl]propanoic acid?
The InChIKey is FINUORIEXRMZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-21-15(10-14(20-21)12-6-7-12)19-17(24)18-13-4-2-3-11(9-13)5-8-16(22)23/h2-4,9-10,12H,5-8H2,1H3,(H,22,23)(H2,18,19,24).
What are the key properties of 3-[3-[(3-cyclopropyl-1-methylpyrazol-5-yl)carbamoylamino]phenyl]propanoic acid?
3-[3-[(3-cyclopropyl-1-methylpyrazol-5-yl)carbamoylamino]phenyl]propanoic acid has a molecular weight of 328.37 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-cyclopropyl-1-methylpyrazol-5-yl)carbamoylamino]phenyl]propanoic acid is sourced from PubChem (CID 122094646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).