4-(1-tert-butyl-5-fluoro-4-pyridin-4-ylpyrazol-3-yl)piperazine-1-carboxylic acid

C17H22FN5O2 — CID 141026658

IUPAC4-(1-tert-butyl-5-fluoro-4-pyridin-4-ylpyrazol-3-yl)piperazine-1-carboxylic acid
SMILESCC(C)(C)n1nc(N2CCN(C(=O)O)CC2)c(-c2ccncc2)c1F
InChIInChI=1S/C17H22FN5O2/c1-17(2,3)23-14(18)13(12-4-6-19-7-5-12)15(20-23)21-8-10-22(11-9-21)16(24)25/h4-7H,8-11H2,1-3H3,(H,24,25)
InChIKeyZYZDPKUKVCOYRT-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.64
Rot. Bonds2

About 4-(1-tert-butyl-5-fluoro-4-pyridin-4-ylpyrazol-3-yl)piperazine-1-carboxylic acid

4-(1-tert-butyl-5-fluoro-4-pyridin-4-ylpyrazol-3-yl)piperazine-1-carboxylic acid (PubChem CID 141026658) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is 4-(1-tert-butyl-5-fluoro-4-pyridin-4-ylpyrazol-3-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(1-tert-butyl-5-fluoro-4-pyridin-4-ylpyrazol-3-yl)piperazine-1-carboxylic acid
PubChem CID141026658
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC Name4-(1-tert-butyl-5-fluoro-4-pyridin-4-ylpyrazol-3-yl)piperazine-1-carboxylic acid
SMILESCC(C)(C)n1nc(N2CCN(C(=O)O)CC2)c(-c2ccncc2)c1F
InChIInChI=1S/C17H22FN5O2/c1-17(2,3)23-14(18)13(12-4-6-19-7-5-12)15(20-23)21-8-10-22(11-9-21)16(24)25/h4-7H,8-11H2,1-3H3,(H,24,25)
InChIKeyZYZDPKUKVCOYRT-UHFFFAOYSA-N
XLogP2.64
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(8-propyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid
CID 86716680
4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane-1-carboxylic acid
CID 67362388
methyl 4-[1-(4-chlorophenyl)-4-pyridin-4-ylpyrazol-3-yl]piperazine-1-carboxylate
CID 22995495
4-(5-methyl-4-oxo-7-pyridin-4-ylthieno[2,3-d]pyridazin-3-yl)piperazine-1-carboxylic acid
CID 129048190
4-(2-aminothieno[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylic acid
CID 129097003
2-tert-butyl-4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine-1-carboxylic acid;triazine
CID 174424755
4-[2-(2-chloro-4-pyridinyl)pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylic acid
CID 151425197
4-[1-(4-fluorophenyl)indazol-3-yl]piperazine-1-carboxylic acid
CID 19887075
4-[3-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]piperazine-1-carboxylic acid
CID 68595845
4-[4-[5-(4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-1-yl]-4-oxobutanoic acid
CID 71191185
4-(4-methylsulfanylphenyl)piperazine-1-carboxylic acid
CID 69368376
4-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperazine-1-carboxylic acid
CID 69493078

Frequently Asked Questions

What is the IUPAC name of 4-(1-tert-butyl-5-fluoro-4-pyridin-4-ylpyrazol-3-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(1-tert-butyl-5-fluoro-4-pyridin-4-ylpyrazol-3-yl)piperazine-1-carboxylic acid (CID 141026658) is 4-(1-tert-butyl-5-fluoro-4-pyridin-4-ylpyrazol-3-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(1-tert-butyl-5-fluoro-4-pyridin-4-ylpyrazol-3-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(1-tert-butyl-5-fluoro-4-pyridin-4-ylpyrazol-3-yl)piperazine-1-carboxylic acid is CC(C)(C)n1nc(N2CCN(C(=O)O)CC2)c(-c2ccncc2)c1F.
What is the InChIKey of 4-(1-tert-butyl-5-fluoro-4-pyridin-4-ylpyrazol-3-yl)piperazine-1-carboxylic acid?
The InChIKey is ZYZDPKUKVCOYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O2/c1-17(2,3)23-14(18)13(12-4-6-19-7-5-12)15(20-23)21-8-10-22(11-9-21)16(24)25/h4-7H,8-11H2,1-3H3,(H,24,25).
What are the key properties of 4-(1-tert-butyl-5-fluoro-4-pyridin-4-ylpyrazol-3-yl)piperazine-1-carboxylic acid?
4-(1-tert-butyl-5-fluoro-4-pyridin-4-ylpyrazol-3-yl)piperazine-1-carboxylic acid has a molecular weight of 347.39 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tert-butyl-5-fluoro-4-pyridin-4-ylpyrazol-3-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 141026658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).