6-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,4-dimethylhexanamide

C13H24N4O — CID 104618745

IUPAC6-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,4-dimethylhexanamide
SMILESCc1[nH]nc(NC(=O)CCC(C)(C)CCN)c1C
InChIInChI=1S/C13H24N4O/c1-9-10(2)16-17-12(9)15-11(18)5-6-13(3,4)7-8-14/h5-8,14H2,1-4H3,(H2,15,16,17,18)
InChIKeySXLGUCKQHUARMB-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.12
Rot. Bonds6

About 6-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,4-dimethylhexanamide

6-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,4-dimethylhexanamide (PubChem CID 104618745) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 6-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,4-dimethylhexanamide.

Molecular Properties

Compound Name6-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,4-dimethylhexanamide
PubChem CID104618745
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name6-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,4-dimethylhexanamide
SMILESCc1[nH]nc(NC(=O)CCC(C)(C)CCN)c1C
InChIInChI=1S/C13H24N4O/c1-9-10(2)16-17-12(9)15-11(18)5-6-13(3,4)7-8-14/h5-8,14H2,1-4H3,(H2,15,16,17,18)
InChIKeySXLGUCKQHUARMB-UHFFFAOYSA-N
XLogP2.12
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,4-dimethylhexanamide?
The IUPAC name of 6-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,4-dimethylhexanamide (CID 104618745) is 6-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,4-dimethylhexanamide.
What is the SMILES notation for 6-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,4-dimethylhexanamide?
The canonical SMILES for 6-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,4-dimethylhexanamide is Cc1[nH]nc(NC(=O)CCC(C)(C)CCN)c1C.
What is the InChIKey of 6-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,4-dimethylhexanamide?
The InChIKey is SXLGUCKQHUARMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-9-10(2)16-17-12(9)15-11(18)5-6-13(3,4)7-8-14/h5-8,14H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 6-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,4-dimethylhexanamide?
6-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,4-dimethylhexanamide has a molecular weight of 252.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,4-dimethylhexanamide is sourced from PubChem (CID 104618745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).