4-[[(1-methyl-3-propylpyrazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

C16H25N3O3 — CID 72839232

IUPAC4-[[(1-methyl-3-propylpyrazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCCCc1cc(C(=O)NCC2CCC(C(=O)O)CC2)n(C)n1
InChIInChI=1S/C16H25N3O3/c1-3-4-13-9-14(19(2)18-13)15(20)17-10-11-5-7-12(8-6-11)16(21)22/h9,11-12H,3-8,10H2,1-2H3,(H,17,20)(H,21,22)
InChIKeyXBAXARKONBDSCE-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.99
Rot. Bonds6

About 4-[[(1-methyl-3-propylpyrazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

4-[[(1-methyl-3-propylpyrazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 72839232) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-[[(1-methyl-3-propylpyrazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(1-methyl-3-propylpyrazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID72839232
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name4-[[(1-methyl-3-propylpyrazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCCCc1cc(C(=O)NCC2CCC(C(=O)O)CC2)n(C)n1
InChIInChI=1S/C16H25N3O3/c1-3-4-13-9-14(19(2)18-13)15(20)17-10-11-5-7-12(8-6-11)16(21)22/h9,11-12H,3-8,10H2,1-2H3,(H,17,20)(H,21,22)
InChIKeyXBAXARKONBDSCE-UHFFFAOYSA-N
XLogP1.99
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1-methyl-3-propylpyrazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(1-methyl-3-propylpyrazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 72839232) is 4-[[(1-methyl-3-propylpyrazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(1-methyl-3-propylpyrazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(1-methyl-3-propylpyrazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is CCCc1cc(C(=O)NCC2CCC(C(=O)O)CC2)n(C)n1.
What is the InChIKey of 4-[[(1-methyl-3-propylpyrazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is XBAXARKONBDSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-3-4-13-9-14(19(2)18-13)15(20)17-10-11-5-7-12(8-6-11)16(21)22/h9,11-12H,3-8,10H2,1-2H3,(H,17,20)(H,21,22).
What are the key properties of 4-[[(1-methyl-3-propylpyrazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
4-[[(1-methyl-3-propylpyrazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 307.39 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-methyl-3-propylpyrazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 72839232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).