N-(2-amino-3-hydroxybutyl)-1-methylpyrazole-3-carboxamide

C9H16N4O2 — CID 103120826

IUPACN-(2-amino-3-hydroxybutyl)-1-methylpyrazole-3-carboxamide
SMILESCC(O)C(N)CNC(=O)c1ccn(C)n1
InChIInChI=1S/C9H16N4O2/c1-6(14)7(10)5-11-9(15)8-3-4-13(2)12-8/h3-4,6-7,14H,5,10H2,1-2H3,(H,11,15)
InChIKeyKYSWHIMQQYADKD-UHFFFAOYSA-N
MW212.25 g/mol
LogP-1.14
Rot. Bonds4

About N-(2-amino-3-hydroxybutyl)-1-methylpyrazole-3-carboxamide

N-(2-amino-3-hydroxybutyl)-1-methylpyrazole-3-carboxamide (PubChem CID 103120826) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)-1-methylpyrazole-3-carboxamide
PubChem CID103120826
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN-(2-amino-3-hydroxybutyl)-1-methylpyrazole-3-carboxamide
SMILESCC(O)C(N)CNC(=O)c1ccn(C)n1
InChIInChI=1S/C9H16N4O2/c1-6(14)7(10)5-11-9(15)8-3-4-13(2)12-8/h3-4,6-7,14H,5,10H2,1-2H3,(H,11,15)
InChIKeyKYSWHIMQQYADKD-UHFFFAOYSA-N
XLogP-1.14
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide
CID 103884663
N-(2-chloro-3-methylbutyl)-1-methylpyrazole-3-carboxamide
CID 103122874
N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-3-carboxamide
CID 110279490
N-(4-amino-2-ethylbutyl)-1-methylpyrazole-3-carboxamide
CID 103123157
N-(2-amino-2-sulfanylideneethyl)-1-methylpyrazole-3-carboxamide
CID 103117884
N-[(2R)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763827
N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763828
4-amino-1-(1-methylpyrazol-3-yl)pentan-1-one
CID 103133153
N-(1-chloropropan-2-yl)-1-methylpyrazole-3-carboxamide
CID 103122581
N-(2-amino-3-hydroxybutyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 64541906
N-(1,3-dihydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide
CID 104580688
1-methyl-N-(3-oxopentan-2-yl)pyrazole-3-carboxamide
CID 103118084

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)-1-methylpyrazole-3-carboxamide (CID 103120826) is N-(2-amino-3-hydroxybutyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)-1-methylpyrazole-3-carboxamide is CC(O)C(N)CNC(=O)c1ccn(C)n1.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is KYSWHIMQQYADKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-6(14)7(10)5-11-9(15)8-3-4-13(2)12-8/h3-4,6-7,14H,5,10H2,1-2H3,(H,11,15).
What are the key properties of N-(2-amino-3-hydroxybutyl)-1-methylpyrazole-3-carboxamide?
N-(2-amino-3-hydroxybutyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 212.25 g/mol, XLogP of -1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 103120826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).