N-(2-amino-2-ethylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

C16H26N6O — CID 119643846

IUPACN-(2-amino-2-ethylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1
InChIInChI=1S/C16H26N6O/c1-6-16(17,7-2)9-18-15(23)13-8-12(19-20-13)14-10(3)21-22(5)11(14)4/h8H,6-7,9,17H2,1-5H3,(H,18,23)(H,19,20)
InChIKeyPZPGIWANMUAYKL-UHFFFAOYSA-N
MW318.43 g/mol
LogP1.67
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

N-(2-amino-2-ethylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 119643846) has the molecular formula C16H26N6O and a molecular weight of 318.43 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID119643846
Molecular FormulaC16H26N6O
Molecular Weight318.43 g/mol
Exact Mass318.22
IUPAC NameN-(2-amino-2-ethylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1
InChIInChI=1S/C16H26N6O/c1-6-16(17,7-2)9-18-15(23)13-8-12(19-20-13)14-10(3)21-22(5)11(14)4/h8H,6-7,9,17H2,1-5H3,(H,18,23)(H,19,20)
InChIKeyPZPGIWANMUAYKL-UHFFFAOYSA-N
XLogP1.67
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 119643846) is N-(2-amino-2-ethylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is CCC(N)(CC)CNC(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is PZPGIWANMUAYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O/c1-6-16(17,7-2)9-18-15(23)13-8-12(19-20-13)14-10(3)21-22(5)11(14)4/h8H,6-7,9,17H2,1-5H3,(H,18,23)(H,19,20).
What are the key properties of N-(2-amino-2-ethylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
N-(2-amino-2-ethylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 318.43 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 119643846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).