2-amino-2-(oxan-4-yl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide

C17H23N5O2 — CID 120799514

IUPAC2-amino-2-(oxan-4-yl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide
SMILESNC(C(=O)Nc1ccn(CCc2ccncc2)n1)C1CCOCC1
InChIInChI=1S/C17H23N5O2/c18-16(14-5-11-24-12-6-14)17(23)20-15-4-10-22(21-15)9-3-13-1-7-19-8-2-13/h1-2,4,7-8,10,14,16H,3,5-6,9,11-12,18H2,(H,20,21,23)
InChIKeyPHECVENQQXZVPV-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.21
Rot. Bonds6

About 2-amino-2-(oxan-4-yl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide

2-amino-2-(oxan-4-yl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide (PubChem CID 120799514) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide
PubChem CID120799514
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-amino-2-(oxan-4-yl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide
SMILESNC(C(=O)Nc1ccn(CCc2ccncc2)n1)C1CCOCC1
InChIInChI=1S/C17H23N5O2/c18-16(14-5-11-24-12-6-14)17(23)20-15-4-10-22(21-15)9-3-13-1-7-19-8-2-13/h1-2,4,7-8,10,14,16H,3,5-6,9,11-12,18H2,(H,20,21,23)
InChIKeyPHECVENQQXZVPV-UHFFFAOYSA-N
XLogP1.21
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide (CID 120799514) is 2-amino-2-(oxan-4-yl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide is NC(C(=O)Nc1ccn(CCc2ccncc2)n1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide?
The InChIKey is PHECVENQQXZVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c18-16(14-5-11-24-12-6-14)17(23)20-15-4-10-22(21-15)9-3-13-1-7-19-8-2-13/h1-2,4,7-8,10,14,16H,3,5-6,9,11-12,18H2,(H,20,21,23).
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide?
2-amino-2-(oxan-4-yl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide has a molecular weight of 329.40 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 120799514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).