2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide

C13H22N4O2 — CID 64824534

IUPAC2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide
SMILESCOCCn1cc(NC(=O)C2CCCCC2N)cn1
InChIInChI=1S/C13H22N4O2/c1-19-7-6-17-9-10(8-15-17)16-13(18)11-4-2-3-5-12(11)14/h8-9,11-12H,2-7,14H2,1H3,(H,16,18)
InChIKeyCGVAZIMZAQNWTA-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.99
Rot. Bonds5

About 2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide

2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide (PubChem CID 64824534) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide
PubChem CID64824534
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide
SMILESCOCCn1cc(NC(=O)C2CCCCC2N)cn1
InChIInChI=1S/C13H22N4O2/c1-19-7-6-17-9-10(8-15-17)16-13(18)11-4-2-3-5-12(11)14/h8-9,11-12H,2-7,14H2,1H3,(H,16,18)
InChIKeyCGVAZIMZAQNWTA-UHFFFAOYSA-N
XLogP0.99
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide (CID 64824534) is 2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide is COCCn1cc(NC(=O)C2CCCCC2N)cn1.
What is the InChIKey of 2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide?
The InChIKey is CGVAZIMZAQNWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-19-7-6-17-9-10(8-15-17)16-13(18)11-4-2-3-5-12(11)14/h8-9,11-12H,2-7,14H2,1H3,(H,16,18).
What are the key properties of 2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide?
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 64824534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).