3-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid

C16H19FN4O3 — CID 122089630

IUPAC3-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid
SMILESCCCc1c(NC(=O)NCCC(=O)O)cnn1-c1cccc(F)c1
InChIInChI=1S/C16H19FN4O3/c1-2-4-14-13(20-16(24)18-8-7-15(22)23)10-19-21(14)12-6-3-5-11(17)9-12/h3,5-6,9-10H,2,4,7-8H2,1H3,(H,22,23)(H2,18,20,24)
InChIKeyYWXBPMUQTOJTPN-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.56
Rot. Bonds7

About 3-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid

3-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid (PubChem CID 122089630) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is 3-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid
PubChem CID122089630
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC Name3-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid
SMILESCCCc1c(NC(=O)NCCC(=O)O)cnn1-c1cccc(F)c1
InChIInChI=1S/C16H19FN4O3/c1-2-4-14-13(20-16(24)18-8-7-15(22)23)10-19-21(14)12-6-3-5-11(17)9-12/h3,5-6,9-10H,2,4,7-8H2,1H3,(H,22,23)(H2,18,20,24)
InChIKeyYWXBPMUQTOJTPN-UHFFFAOYSA-N
XLogP2.56
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(4-fluorophenyl)-5-propylpyrazol-4-yl]carbamoylamino]butanoic acid
CID 122091567
N-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 167852484
4-methyl-4-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid
CID 122091735
1-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122089636
N'-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-N-spiro[5.5]undecan-5-yloxamide
CID 167961763
3-[[1-(3-cyanophenyl)-5-propylpyrazol-4-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122090983
5-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]amino]-2,2-dimethylpentanenitrile
CID 86818123
1-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122091731
tert-butyl N-[1-(4-fluorophenyl)-5-propylpyrazol-4-yl]carbamate
CID 86775149
4-methyl-4-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid
CID 122089922
3-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 119176883
4-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]carbamoylamino]butanoic acid
CID 122087341

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid?
The IUPAC name of 3-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid (CID 122089630) is 3-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid?
The canonical SMILES for 3-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid is CCCc1c(NC(=O)NCCC(=O)O)cnn1-c1cccc(F)c1.
What is the InChIKey of 3-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid?
The InChIKey is YWXBPMUQTOJTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3/c1-2-4-14-13(20-16(24)18-8-7-15(22)23)10-19-21(14)12-6-3-5-11(17)9-12/h3,5-6,9-10H,2,4,7-8H2,1H3,(H,22,23)(H2,18,20,24).
What are the key properties of 3-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid?
3-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid has a molecular weight of 334.35 g/mol, XLogP of 2.56, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid is sourced from PubChem (CID 122089630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).