N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide

C12H22N4O — CID 79651912

IUPACN-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C12H22N4O/c1-8-10(9(2)15-14-8)11(17)16(5)7-12(3,4)6-13/h6-7,13H2,1-5H3,(H,14,15)
InChIKeyZKYDHDSTABYADI-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.08
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide

N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide (PubChem CID 79651912) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide
PubChem CID79651912
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C12H22N4O/c1-8-10(9(2)15-14-8)11(17)16(5)7-12(3,4)6-13/h6-7,13H2,1-5H3,(H,14,15)
InChIKeyZKYDHDSTABYADI-UHFFFAOYSA-N
XLogP1.08
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide (CID 79651912) is N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)N(C)CC(C)(C)CN.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is ZKYDHDSTABYADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8-10(9(2)15-14-8)11(17)16(5)7-12(3,4)6-13/h6-7,13H2,1-5H3,(H,14,15).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 79651912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).