2-(3-aminopyrazol-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]acetamide

C12H21N5O — CID 55035973

IUPAC2-(3-aminopyrazol-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]acetamide
SMILESCN1CCC(CNC(=O)Cn2ccc(N)n2)CC1
InChIInChI=1S/C12H21N5O/c1-16-5-2-10(3-6-16)8-14-12(18)9-17-7-4-11(13)15-17/h4,7,10H,2-3,5-6,8-9H2,1H3,(H2,13,15)(H,14,18)
InChIKeyIHWOPVLKXWQUPV-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.08
Rot. Bonds4

About 2-(3-aminopyrazol-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]acetamide

2-(3-aminopyrazol-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]acetamide (PubChem CID 55035973) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]acetamide
PubChem CID55035973
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-(3-aminopyrazol-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]acetamide
SMILESCN1CCC(CNC(=O)Cn2ccc(N)n2)CC1
InChIInChI=1S/C12H21N5O/c1-16-5-2-10(3-6-16)8-14-12(18)9-17-7-4-11(13)15-17/h4,7,10H,2-3,5-6,8-9H2,1H3,(H2,13,15)(H,14,18)
InChIKeyIHWOPVLKXWQUPV-UHFFFAOYSA-N
XLogP-0.08
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]acetamide (CID 55035973) is 2-(3-aminopyrazol-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]acetamide is CN1CCC(CNC(=O)Cn2ccc(N)n2)CC1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]acetamide?
The InChIKey is IHWOPVLKXWQUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-16-5-2-10(3-6-16)8-14-12(18)9-17-7-4-11(13)15-17/h4,7,10H,2-3,5-6,8-9H2,1H3,(H2,13,15)(H,14,18).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]acetamide?
2-(3-aminopyrazol-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]acetamide has a molecular weight of 251.33 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 55035973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).