4-cyclohexyloxy-1-(piperidin-4-ylmethyl)pyrazole-5-carboxylic acid

C16H25N3O3 — CID 117232013

IUPAC4-cyclohexyloxy-1-(piperidin-4-ylmethyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1c(OC2CCCCC2)cnn1CC1CCNCC1
InChIInChI=1S/C16H25N3O3/c20-16(21)15-14(22-13-4-2-1-3-5-13)10-18-19(15)11-12-6-8-17-9-7-12/h10,12-13,17H,1-9,11H2,(H,20,21)
InChIKeyDEMDPBHNOXSLRX-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.29
Rot. Bonds5

About 4-cyclohexyloxy-1-(piperidin-4-ylmethyl)pyrazole-5-carboxylic acid

4-cyclohexyloxy-1-(piperidin-4-ylmethyl)pyrazole-5-carboxylic acid (PubChem CID 117232013) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-cyclohexyloxy-1-(piperidin-4-ylmethyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclohexyloxy-1-(piperidin-4-ylmethyl)pyrazole-5-carboxylic acid
PubChem CID117232013
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name4-cyclohexyloxy-1-(piperidin-4-ylmethyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1c(OC2CCCCC2)cnn1CC1CCNCC1
InChIInChI=1S/C16H25N3O3/c20-16(21)15-14(22-13-4-2-1-3-5-13)10-18-19(15)11-12-6-8-17-9-7-12/h10,12-13,17H,1-9,11H2,(H,20,21)
InChIKeyDEMDPBHNOXSLRX-UHFFFAOYSA-N
XLogP2.29
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-1-(piperidin-4-ylmethyl)pyrazole-5-carboxylic acid?
The IUPAC name of 4-cyclohexyloxy-1-(piperidin-4-ylmethyl)pyrazole-5-carboxylic acid (CID 117232013) is 4-cyclohexyloxy-1-(piperidin-4-ylmethyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclohexyloxy-1-(piperidin-4-ylmethyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 4-cyclohexyloxy-1-(piperidin-4-ylmethyl)pyrazole-5-carboxylic acid is O=C(O)c1c(OC2CCCCC2)cnn1CC1CCNCC1.
What is the InChIKey of 4-cyclohexyloxy-1-(piperidin-4-ylmethyl)pyrazole-5-carboxylic acid?
The InChIKey is DEMDPBHNOXSLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c20-16(21)15-14(22-13-4-2-1-3-5-13)10-18-19(15)11-12-6-8-17-9-7-12/h10,12-13,17H,1-9,11H2,(H,20,21).
What are the key properties of 4-cyclohexyloxy-1-(piperidin-4-ylmethyl)pyrazole-5-carboxylic acid?
4-cyclohexyloxy-1-(piperidin-4-ylmethyl)pyrazole-5-carboxylic acid has a molecular weight of 307.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-1-(piperidin-4-ylmethyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 117232013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).