4-[(3-pyrazol-1-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid

C14H21N3O3 — CID 53216093

IUPAC4-[(3-pyrazol-1-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(CCn1cccn1)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H21N3O3/c18-13(6-9-17-8-1-7-16-17)15-10-11-2-4-12(5-3-11)14(19)20/h1,7-8,11-12H,2-6,9-10H2,(H,15,18)(H,19,20)
InChIKeyQYHWSZGOFSKVOQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.28
Rot. Bonds6

About 4-[(3-pyrazol-1-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid

4-[(3-pyrazol-1-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid (PubChem CID 53216093) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[(3-pyrazol-1-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-pyrazol-1-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
PubChem CID53216093
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-[(3-pyrazol-1-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(CCn1cccn1)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H21N3O3/c18-13(6-9-17-8-1-7-16-17)15-10-11-2-4-12(5-3-11)14(19)20/h1,7-8,11-12H,2-6,9-10H2,(H,15,18)(H,19,20)
InChIKeyQYHWSZGOFSKVOQ-UHFFFAOYSA-N
XLogP1.28
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-pyrazol-1-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3-pyrazol-1-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid (CID 53216093) is 4-[(3-pyrazol-1-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-pyrazol-1-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3-pyrazol-1-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid is O=C(CCn1cccn1)NCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(3-pyrazol-1-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is QYHWSZGOFSKVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c18-13(6-9-17-8-1-7-16-17)15-10-11-2-4-12(5-3-11)14(19)20/h1,7-8,11-12H,2-6,9-10H2,(H,15,18)(H,19,20).
What are the key properties of 4-[(3-pyrazol-1-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid?
4-[(3-pyrazol-1-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-pyrazol-1-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 53216093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).