N,N-bis(2-hydroxyethyl)-1-methylpyrazole-3-carboxamide

C9H15N3O3 — CID 103915328

IUPACN,N-bis(2-hydroxyethyl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)N(CCO)CCO)n1
InChIInChI=1S/C9H15N3O3/c1-11-3-2-8(10-11)9(15)12(4-6-13)5-7-14/h2-3,13-14H,4-7H2,1H3
InChIKeyTWUNEGYNQYPGGY-UHFFFAOYSA-N
MW213.24 g/mol
LogP-1.15
Rot. Bonds5

About N,N-bis(2-hydroxyethyl)-1-methylpyrazole-3-carboxamide

N,N-bis(2-hydroxyethyl)-1-methylpyrazole-3-carboxamide (PubChem CID 103915328) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-1-methylpyrazole-3-carboxamide
PubChem CID103915328
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC NameN,N-bis(2-hydroxyethyl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)N(CCO)CCO)n1
InChIInChI=1S/C9H15N3O3/c1-11-3-2-8(10-11)9(15)12(4-6-13)5-7-14/h2-3,13-14H,4-7H2,1H3
InChIKeyTWUNEGYNQYPGGY-UHFFFAOYSA-N
XLogP-1.15
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N,N-bis(2-hydroxyethyl)-1-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-3-carboxamide
CID 103122847
N-(2-bromoethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 107492514
N-(2-amino-2-sulfanylideneethyl)-1-methyl-N-propylpyrazole-3-carboxamide
CID 103117952
1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)pyrazole-3-carboxamide
CID 61115162
N-(3-aminopropyl)-N-benzyl-1-methylpyrazole-3-carboxamide
CID 107365593
2-[(1-methylpyrazole-3-carbonyl)-prop-2-ynylamino]acetic acid
CID 103116999
N-(2-hydroxy-2-methylpropyl)-N,1-dimethylpyrazole-3-carboxamide
CID 103726489
N-(2-aminoethyl)-N-cyclopropyl-1-methylpyrazole-3-carboxamide
CID 103115823
N-(3-bromobutyl)-N,1-dimethylpyrazole-3-carboxamide
CID 103122900
N-(2-chloroethyl)-N-cyclopropyl-1-methylpyrazole-3-carboxamide
CID 103122400
N-[(4-fluorophenyl)methyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 126809877
2-[(1-methylpyrazole-3-carbonyl)-propan-2-ylamino]acetic acid
CID 103116547

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-1-methylpyrazole-3-carboxamide (CID 103915328) is N,N-bis(2-hydroxyethyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)N(CCO)CCO)n1.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is TWUNEGYNQYPGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-11-3-2-8(10-11)9(15)12(4-6-13)5-7-14/h2-3,13-14H,4-7H2,1H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-1-methylpyrazole-3-carboxamide?
N,N-bis(2-hydroxyethyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 213.24 g/mol, XLogP of -1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 103915328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).