2-[4-[[(3-cyclopentyl-1-methylpyrazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid

C19H29N3O3 — CID 154848159

IUPAC2-[4-[[(3-cyclopentyl-1-methylpyrazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid
SMILESCn1nc(C2CCCC2)cc1C(=O)NCC1CCC(CC(=O)O)CC1
InChIInChI=1S/C19H29N3O3/c1-22-17(11-16(21-22)15-4-2-3-5-15)19(25)20-12-14-8-6-13(7-9-14)10-18(23)24/h11,13-15H,2-10,12H2,1H3,(H,20,25)(H,23,24)
InChIKeyFGEKGQZVGOYSQD-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.09
Rot. Bonds6

About 2-[4-[[(3-cyclopentyl-1-methylpyrazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid

2-[4-[[(3-cyclopentyl-1-methylpyrazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid (PubChem CID 154848159) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[4-[[(3-cyclopentyl-1-methylpyrazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(3-cyclopentyl-1-methylpyrazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid
PubChem CID154848159
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-[4-[[(3-cyclopentyl-1-methylpyrazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid
SMILESCn1nc(C2CCCC2)cc1C(=O)NCC1CCC(CC(=O)O)CC1
InChIInChI=1S/C19H29N3O3/c1-22-17(11-16(21-22)15-4-2-3-5-15)19(25)20-12-14-8-6-13(7-9-14)10-18(23)24/h11,13-15H,2-10,12H2,1H3,(H,20,25)(H,23,24)
InChIKeyFGEKGQZVGOYSQD-UHFFFAOYSA-N
XLogP3.09
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3-cyclopentyl-1-methylpyrazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[[(3-cyclopentyl-1-methylpyrazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid (CID 154848159) is 2-[4-[[(3-cyclopentyl-1-methylpyrazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[[(3-cyclopentyl-1-methylpyrazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[[(3-cyclopentyl-1-methylpyrazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid is Cn1nc(C2CCCC2)cc1C(=O)NCC1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[4-[[(3-cyclopentyl-1-methylpyrazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid?
The InChIKey is FGEKGQZVGOYSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-22-17(11-16(21-22)15-4-2-3-5-15)19(25)20-12-14-8-6-13(7-9-14)10-18(23)24/h11,13-15H,2-10,12H2,1H3,(H,20,25)(H,23,24).
What are the key properties of 2-[4-[[(3-cyclopentyl-1-methylpyrazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid?
2-[4-[[(3-cyclopentyl-1-methylpyrazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid has a molecular weight of 347.46 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3-cyclopentyl-1-methylpyrazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 154848159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).