4-(3-tert-butylpyrazol-1-yl)-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid

C18H25N5O3 — CID 56913104

IUPAC4-(3-tert-butylpyrazol-1-yl)-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid
SMILESCOc1nccnc1N1CCC(C(=O)O)(n2ccc(C(C)(C)C)n2)CC1
InChIInChI=1S/C18H25N5O3/c1-17(2,3)13-5-10-23(21-13)18(16(24)25)6-11-22(12-7-18)14-15(26-4)20-9-8-19-14/h5,8-10H,6-7,11-12H2,1-4H3,(H,24,25)
InChIKeyGYQQRJINGFVPQO-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.06
Rot. Bonds4

About 4-(3-tert-butylpyrazol-1-yl)-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid

4-(3-tert-butylpyrazol-1-yl)-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid (PubChem CID 56913104) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-(3-tert-butylpyrazol-1-yl)-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(3-tert-butylpyrazol-1-yl)-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid
PubChem CID56913104
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name4-(3-tert-butylpyrazol-1-yl)-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid
SMILESCOc1nccnc1N1CCC(C(=O)O)(n2ccc(C(C)(C)C)n2)CC1
InChIInChI=1S/C18H25N5O3/c1-17(2,3)13-5-10-23(21-13)18(16(24)25)6-11-22(12-7-18)14-15(26-4)20-9-8-19-14/h5,8-10H,6-7,11-12H2,1-4H3,(H,24,25)
InChIKeyGYQQRJINGFVPQO-UHFFFAOYSA-N
XLogP2.06
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butylpyrazol-1-yl)-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(3-tert-butylpyrazol-1-yl)-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid (CID 56913104) is 4-(3-tert-butylpyrazol-1-yl)-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(3-tert-butylpyrazol-1-yl)-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(3-tert-butylpyrazol-1-yl)-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid is COc1nccnc1N1CCC(C(=O)O)(n2ccc(C(C)(C)C)n2)CC1.
What is the InChIKey of 4-(3-tert-butylpyrazol-1-yl)-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid?
The InChIKey is GYQQRJINGFVPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-17(2,3)13-5-10-23(21-13)18(16(24)25)6-11-22(12-7-18)14-15(26-4)20-9-8-19-14/h5,8-10H,6-7,11-12H2,1-4H3,(H,24,25).
What are the key properties of 4-(3-tert-butylpyrazol-1-yl)-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid?
4-(3-tert-butylpyrazol-1-yl)-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid has a molecular weight of 359.43 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butylpyrazol-1-yl)-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56913104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).