2-[3-[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid

C19H21N5O4 — CID 56717030

IUPAC2-[3-[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid
SMILESCc1ccc(-c2cc(C(=O)N3CCC(c4cc(CC(=O)O)[nH]n4)CC3)n[nH]2)o1
InChIInChI=1S/C19H21N5O4/c1-11-2-3-17(28-11)15-10-16(23-22-15)19(27)24-6-4-12(5-7-24)14-8-13(20-21-14)9-18(25)26/h2-3,8,10,12H,4-7,9H2,1H3,(H,20,21)(H,22,23)(H,25,26)
InChIKeyPSFSJSDFPZYXFE-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.35
Rot. Bonds5

About 2-[3-[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid

2-[3-[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid (PubChem CID 56717030) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-[3-[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid
PubChem CID56717030
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Name2-[3-[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid
SMILESCc1ccc(-c2cc(C(=O)N3CCC(c4cc(CC(=O)O)[nH]n4)CC3)n[nH]2)o1
InChIInChI=1S/C19H21N5O4/c1-11-2-3-17(28-11)15-10-16(23-22-15)19(27)24-6-4-12(5-7-24)14-8-13(20-21-14)9-18(25)26/h2-3,8,10,12H,4-7,9H2,1H3,(H,20,21)(H,22,23)(H,25,26)
InChIKeyPSFSJSDFPZYXFE-UHFFFAOYSA-N
XLogP2.35
TPSA128.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid?
The IUPAC name of 2-[3-[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid (CID 56717030) is 2-[3-[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid is Cc1ccc(-c2cc(C(=O)N3CCC(c4cc(CC(=O)O)[nH]n4)CC3)n[nH]2)o1.
What is the InChIKey of 2-[3-[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid?
The InChIKey is PSFSJSDFPZYXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-11-2-3-17(28-11)15-10-16(23-22-15)19(27)24-6-4-12(5-7-24)14-8-13(20-21-14)9-18(25)26/h2-3,8,10,12H,4-7,9H2,1H3,(H,20,21)(H,22,23)(H,25,26).
What are the key properties of 2-[3-[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid?
2-[3-[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid has a molecular weight of 383.41 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid is sourced from PubChem (CID 56717030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).