(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone

C14H24N4O2 — CID 116633830

IUPAC(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
SMILESCC(C)c1[nH]nc(C(=O)N2CCCCCC2CO)c1N
InChIInChI=1S/C14H24N4O2/c1-9(2)12-11(15)13(17-16-12)14(20)18-7-5-3-4-6-10(18)8-19/h9-10,19H,3-8,15H2,1-2H3,(H,16,17)
InChIKeyDIJJZPHARKYFDI-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.49
Rot. Bonds3

About (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone

(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone (PubChem CID 116633830) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
PubChem CID116633830
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
SMILESCC(C)c1[nH]nc(C(=O)N2CCCCCC2CO)c1N
InChIInChI=1S/C14H24N4O2/c1-9(2)12-11(15)13(17-16-12)14(20)18-7-5-3-4-6-10(18)8-19/h9-10,19H,3-8,15H2,1-2H3,(H,16,17)
InChIKeyDIJJZPHARKYFDI-UHFFFAOYSA-N
XLogP1.49
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
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4-amino-N-cycloheptyl-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone?
The IUPAC name of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone (CID 116633830) is (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone.
What is the SMILES notation for (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone?
The canonical SMILES for (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone is CC(C)c1[nH]nc(C(=O)N2CCCCCC2CO)c1N.
What is the InChIKey of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone?
The InChIKey is DIJJZPHARKYFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9(2)12-11(15)13(17-16-12)14(20)18-7-5-3-4-6-10(18)8-19/h9-10,19H,3-8,15H2,1-2H3,(H,16,17).
What are the key properties of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone?
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone has a molecular weight of 280.37 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone is sourced from PubChem (CID 116633830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).