4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoylamino]butanoic acid

C17H23N5O3 — CID 122089728

IUPAC4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoylamino]butanoic acid
SMILESCC(C)(C)c1cc(NC(=O)NCCCC(=O)O)n(-c2ccccn2)n1
InChIInChI=1S/C17H23N5O3/c1-17(2,3)12-11-14(20-16(25)19-10-6-8-15(23)24)22(21-12)13-7-4-5-9-18-13/h4-5,7,9,11H,6,8,10H2,1-3H3,(H,23,24)(H2,19,20,25)
InChIKeyPOOGMFVJICZDAT-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.55
Rot. Bonds6

About 4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoylamino]butanoic acid

4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoylamino]butanoic acid (PubChem CID 122089728) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoylamino]butanoic acid
PubChem CID122089728
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoylamino]butanoic acid
SMILESCC(C)(C)c1cc(NC(=O)NCCCC(=O)O)n(-c2ccccn2)n1
InChIInChI=1S/C17H23N5O3/c1-17(2,3)12-11-14(20-16(25)19-10-6-8-15(23)24)22(21-12)13-7-4-5-9-18-13/h4-5,7,9,11H,6,8,10H2,1-3H3,(H,23,24)(H2,19,20,25)
InChIKeyPOOGMFVJICZDAT-UHFFFAOYSA-N
XLogP2.55
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-4-oxobutyl]benzamide
CID 56531701
4-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoylamino]butanoic acid
CID 122075911
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)hexa-2,4-dienamide
CID 72687232
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxybenzamide
CID 56531789
(2S)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxypropanamide
CID 52910343
3-tert-butyl-N-phenyl-1-pyridin-2-ylpyrazol-5-amine
CID 102581187
3-(5-tert-butyl-1,3-oxazol-2-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)propanamide
CID 99787256
2-bromo-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-fluorobenzamide
CID 56550955
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 56551244
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(4-ethoxyphenyl)propanamide
CID 56550449
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 56531405
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2,4-dichlorobenzamide
CID 56531728

Frequently Asked Questions

What is the IUPAC name of 4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoylamino]butanoic acid?
The IUPAC name of 4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoylamino]butanoic acid (CID 122089728) is 4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoylamino]butanoic acid.
What is the SMILES notation for 4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoylamino]butanoic acid?
The canonical SMILES for 4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoylamino]butanoic acid is CC(C)(C)c1cc(NC(=O)NCCCC(=O)O)n(-c2ccccn2)n1.
What is the InChIKey of 4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoylamino]butanoic acid?
The InChIKey is POOGMFVJICZDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-17(2,3)12-11-14(20-16(25)19-10-6-8-15(23)24)22(21-12)13-7-4-5-9-18-13/h4-5,7,9,11H,6,8,10H2,1-3H3,(H,23,24)(H2,19,20,25).
What are the key properties of 4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoylamino]butanoic acid?
4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoylamino]butanoic acid has a molecular weight of 345.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoylamino]butanoic acid is sourced from PubChem (CID 122089728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).