N-[3-(2-hydroxyethoxy)propyl]-1,5-dimethylpyrazole-4-carboxamide

C11H19N3O3 — CID 113364754

IUPACN-[3-(2-hydroxyethoxy)propyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCCOCCO)cnn1C
InChIInChI=1S/C11H19N3O3/c1-9-10(8-13-14(9)2)11(16)12-4-3-6-17-7-5-15/h8,15H,3-7H2,1-2H3,(H,12,16)
InChIKeyPYEOJGZARNVFSF-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.14
Rot. Bonds7

About N-[3-(2-hydroxyethoxy)propyl]-1,5-dimethylpyrazole-4-carboxamide

N-[3-(2-hydroxyethoxy)propyl]-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 113364754) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[3-(2-hydroxyethoxy)propyl]-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-hydroxyethoxy)propyl]-1,5-dimethylpyrazole-4-carboxamide
PubChem CID113364754
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC NameN-[3-(2-hydroxyethoxy)propyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCCOCCO)cnn1C
InChIInChI=1S/C11H19N3O3/c1-9-10(8-13-14(9)2)11(16)12-4-3-6-17-7-5-15/h8,15H,3-7H2,1-2H3,(H,12,16)
InChIKeyPYEOJGZARNVFSF-UHFFFAOYSA-N
XLogP-0.14
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,5-dimethyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]pyrazole-4-carboxamide
CID 94179237
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]butanoyl chloride
CID 19473967
N-(5-bromopentyl)-1,5-dimethylpyrazole-4-carboxamide
CID 107322076
N-(4-hydroxypentyl)-1,5-dimethylpyrazole-4-carboxamide
CID 107299585
N-(4-azidobutyl)-1,5-dimethylpyrazole-4-carboxamide
CID 106386535
5-amino-N-[4-(2-methoxyethoxy)butyl]-1-methylpyrazole-4-carboxamide
CID 104587708
N-(3-amino-3-sulfanylidenepropyl)-1,5-dimethylpyrazole-4-carboxamide
CID 62665555
N-[3-(2-hydroxyethoxy)propyl]-3-methylimidazole-4-carboxamide
CID 106305682
N-(3-butoxypropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38028641
5-amino-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide
CID 82547322
5-amino-1-methyl-N-[3-(2-methylpropoxy)propyl]pyrazole-4-carboxamide
CID 113355603
N-(3-butoxypropyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791814

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxyethoxy)propyl]-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(2-hydroxyethoxy)propyl]-1,5-dimethylpyrazole-4-carboxamide (CID 113364754) is N-[3-(2-hydroxyethoxy)propyl]-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(2-hydroxyethoxy)propyl]-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(2-hydroxyethoxy)propyl]-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)NCCCOCCO)cnn1C.
What is the InChIKey of N-[3-(2-hydroxyethoxy)propyl]-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is PYEOJGZARNVFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-9-10(8-13-14(9)2)11(16)12-4-3-6-17-7-5-15/h8,15H,3-7H2,1-2H3,(H,12,16).
What are the key properties of N-[3-(2-hydroxyethoxy)propyl]-1,5-dimethylpyrazole-4-carboxamide?
N-[3-(2-hydroxyethoxy)propyl]-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 241.29 g/mol, XLogP of -0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxyethoxy)propyl]-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 113364754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).