2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide

C14H24N4O2 — CID 115290613

IUPAC2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCC1CCCC(CO)(NC(=O)C(N)c2cnn(C)c2)C1
InChIInChI=1S/C14H24N4O2/c1-10-4-3-5-14(6-10,9-19)17-13(20)12(15)11-7-16-18(2)8-11/h7-8,10,12,19H,3-6,9,15H2,1-2H3,(H,17,20)
InChIKeyBJQXUYDNLKYWNS-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.48
Rot. Bonds4

About 2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide

2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 115290613) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID115290613
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCC1CCCC(CO)(NC(=O)C(N)c2cnn(C)c2)C1
InChIInChI=1S/C14H24N4O2/c1-10-4-3-5-14(6-10,9-19)17-13(20)12(15)11-7-16-18(2)8-11/h7-8,10,12,19H,3-6,9,15H2,1-2H3,(H,17,20)
InChIKeyBJQXUYDNLKYWNS-UHFFFAOYSA-N
XLogP0.48
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide (CID 115290613) is 2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide is CC1CCCC(CO)(NC(=O)C(N)c2cnn(C)c2)C1.
What is the InChIKey of 2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is BJQXUYDNLKYWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10-4-3-5-14(6-10,9-19)17-13(20)12(15)11-7-16-18(2)8-11/h7-8,10,12,19H,3-6,9,15H2,1-2H3,(H,17,20).
What are the key properties of 2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide?
2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 280.37 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 115290613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).