N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrazole-4-carboxamide

C9H15N3O4 — CID 107846469

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC(CO)(CO)CO)cn1
InChIInChI=1S/C9H15N3O4/c1-12-3-7(2-10-12)8(16)11-9(4-13,5-14)6-15/h2-3,13-15H,4-6H2,1H3,(H,11,16)
InChIKeyLZGGYEZNYGAFSX-UHFFFAOYSA-N
MW229.24 g/mol
LogP-2.13
Rot. Bonds5

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrazole-4-carboxamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 107846469) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrazole-4-carboxamide
PubChem CID107846469
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC(CO)(CO)CO)cn1
InChIInChI=1S/C9H15N3O4/c1-12-3-7(2-10-12)8(16)11-9(4-13,5-14)6-15/h2-3,13-15H,4-6H2,1H3,(H,11,16)
InChIKeyLZGGYEZNYGAFSX-UHFFFAOYSA-N
XLogP-2.13
TPSA107.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-2.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-(trifluoromethyl)pyrazole-4-carboxamide
CID 91041717
1-methyl-N-propan-2-ylpyrazole-4-carboxamide;molecular hydrogen
CID 169175366
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide
CID 113294452
1-methylpyrazole-4-carboxylate
CID 6979031
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
1-N,3-N,5-N-tris[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzene-1,3,5-tricarboxamide
CID 10768267
N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-1-propylpyrazole-4-carboxamide
CID 99704493
N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
CID 19474676
N-[4-(hydroxymethyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 64794504
1-[3-(hydroxymethyl)pentan-3-yl]-3-(1-methylpyrazol-4-yl)urea
CID 111925907
N-(1-hydroxy-4-methylpentan-2-yl)-1-methylpyrazole-4-carboxamide
CID 61247345
1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide
CID 103723314

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrazole-4-carboxamide (CID 107846469) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NC(CO)(CO)CO)cn1.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is LZGGYEZNYGAFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c1-12-3-7(2-10-12)8(16)11-9(4-13,5-14)6-15/h2-3,13-15H,4-6H2,1H3,(H,11,16).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrazole-4-carboxamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 229.24 g/mol, XLogP of -2.13, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 107846469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).