N-(2-amino-3-hydroxybutyl)-1,3,5-trimethylpyrazole-4-carboxamide

C11H20N4O2 — CID 64541906

IUPACN-(2-amino-3-hydroxybutyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCC(N)C(C)O
InChIInChI=1S/C11H20N4O2/c1-6-10(7(2)15(4)14-6)11(17)13-5-9(12)8(3)16/h8-9,16H,5,12H2,1-4H3,(H,13,17)
InChIKeyPDSUSCHABFCIEH-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.53
Rot. Bonds4

About N-(2-amino-3-hydroxybutyl)-1,3,5-trimethylpyrazole-4-carboxamide

N-(2-amino-3-hydroxybutyl)-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 64541906) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID64541906
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN-(2-amino-3-hydroxybutyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCC(N)C(C)O
InChIInChI=1S/C11H20N4O2/c1-6-10(7(2)15(4)14-6)11(17)13-5-9(12)8(3)16/h8-9,16H,5,12H2,1-4H3,(H,13,17)
InChIKeyPDSUSCHABFCIEH-UHFFFAOYSA-N
XLogP-0.53
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-hydroxy-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate
CID 103879555
N-(2-bromopropyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 114308682
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride
CID 119526828
(3S)-5-methyl-3-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]hexanoic acid
CID 65493485
N-(3-bromobutyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 114312498
N-(2-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride
CID 119629510
N-[2-(2-chloroethyl)pentyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 106117786
N-hydroxy-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742914
N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 114148855
N-(2-amino-3-hydroxybutyl)-1-methylpyrazole-3-carboxamide
CID 103120826
2-benzyl-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 119233638
N-(4-cyanobutyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 63297031

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)-1,3,5-trimethylpyrazole-4-carboxamide (CID 64541906) is N-(2-amino-3-hydroxybutyl)-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)-1,3,5-trimethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)NCC(N)C(C)O.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is PDSUSCHABFCIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-6-10(7(2)15(4)14-6)11(17)13-5-9(12)8(3)16/h8-9,16H,5,12H2,1-4H3,(H,13,17).
What are the key properties of N-(2-amino-3-hydroxybutyl)-1,3,5-trimethylpyrazole-4-carboxamide?
N-(2-amino-3-hydroxybutyl)-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 240.31 g/mol, XLogP of -0.53, 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)-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 64541906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).