4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide

C10H18N4O2 — CID 66122417

IUPAC4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NC(C)(C)CO)c1N
InChIInChI=1S/C10H18N4O2/c1-6-7(11)8(14(4)13-6)9(16)12-10(2,3)5-15/h15H,5,11H2,1-4H3,(H,12,16)
InChIKeySVDSIAVKTRUHFM-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.19
Rot. Bonds3

About 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide

4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 66122417) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide
PubChem CID66122417
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NC(C)(C)CO)c1N
InChIInChI=1S/C10H18N4O2/c1-6-7(11)8(14(4)13-6)9(16)12-10(2,3)5-15/h15H,5,11H2,1-4H3,(H,12,16)
InChIKeySVDSIAVKTRUHFM-UHFFFAOYSA-N
XLogP-0.19
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide (CID 66122417) is 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)NC(C)(C)CO)c1N.
What is the InChIKey of 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is SVDSIAVKTRUHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-6-7(11)8(14(4)13-6)9(16)12-10(2,3)5-15/h15H,5,11H2,1-4H3,(H,12,16).
What are the key properties of 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide?
4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 226.28 g/mol, XLogP of -0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66122417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).