2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide

C14H23N7O — CID 90648903

IUPAC2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCc1n[nH]c(C)c1C(N)C(=O)NCCc1nncn1C(C)C
InChIInChI=1S/C14H23N7O/c1-8(2)21-7-17-20-11(21)5-6-16-14(22)13(15)12-9(3)18-19-10(12)4/h7-8,13H,5-6,15H2,1-4H3,(H,16,22)(H,18,19)
InChIKeyLXDKZUZGNLENIH-UHFFFAOYSA-N
MW305.39 g/mol
LogP0.56
Rot. Bonds6

About 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide

2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 90648903) has the molecular formula C14H23N7O and a molecular weight of 305.39 g/mol. Its IUPAC name is 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID90648903
Molecular FormulaC14H23N7O
Molecular Weight305.39 g/mol
Exact Mass305.20
IUPAC Name2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCc1n[nH]c(C)c1C(N)C(=O)NCCc1nncn1C(C)C
InChIInChI=1S/C14H23N7O/c1-8(2)21-7-17-20-11(21)5-6-16-14(22)13(15)12-9(3)18-19-10(12)4/h7-8,13H,5-6,15H2,1-4H3,(H,16,22)(H,18,19)
InChIKeyLXDKZUZGNLENIH-UHFFFAOYSA-N
XLogP0.56
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 90648903) is 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide is Cc1n[nH]c(C)c1C(N)C(=O)NCCc1nncn1C(C)C.
What is the InChIKey of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is LXDKZUZGNLENIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7O/c1-8(2)21-7-17-20-11(21)5-6-16-14(22)13(15)12-9(3)18-19-10(12)4/h7-8,13H,5-6,15H2,1-4H3,(H,16,22)(H,18,19).
What are the key properties of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide?
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 305.39 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 90648903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).