4-amino-N-(2,3-dihydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide

C9H16N4O3 — CID 66169769

IUPAC4-amino-N-(2,3-dihydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)NCC(C)(O)CO)n1
InChIInChI=1S/C9H16N4O3/c1-9(16,5-14)4-11-8(15)7-6(10)3-13(2)12-7/h3,14,16H,4-5,10H2,1-2H3,(H,11,15)
InChIKeySPBISLOVGLODLU-UHFFFAOYSA-N
MW228.25 g/mol
LogP-1.52
Rot. Bonds4

About 4-amino-N-(2,3-dihydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide

4-amino-N-(2,3-dihydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide (PubChem CID 66169769) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-amino-N-(2,3-dihydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,3-dihydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide
PubChem CID66169769
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name4-amino-N-(2,3-dihydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)NCC(C)(O)CO)n1
InChIInChI=1S/C9H16N4O3/c1-9(16,5-14)4-11-8(15)7-6(10)3-13(2)12-7/h3,14,16H,4-5,10H2,1-2H3,(H,11,15)
InChIKeySPBISLOVGLODLU-UHFFFAOYSA-N
XLogP-1.52
TPSA113.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-dihydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2,3-dihydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide (CID 66169769) is 4-amino-N-(2,3-dihydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2,3-dihydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2,3-dihydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide is Cn1cc(N)c(C(=O)NCC(C)(O)CO)n1.
What is the InChIKey of 4-amino-N-(2,3-dihydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is SPBISLOVGLODLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-9(16,5-14)4-11-8(15)7-6(10)3-13(2)12-7/h3,14,16H,4-5,10H2,1-2H3,(H,11,15).
What are the key properties of 4-amino-N-(2,3-dihydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide?
4-amino-N-(2,3-dihydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 228.25 g/mol, XLogP of -1.52, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,3-dihydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 66169769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).