N-benzyl-5-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide

C15H18ClN3O2 — CID 78839583

IUPACN-benzyl-5-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(Cl)c1C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C15H18ClN3O2/c1-11-13(14(16)18(2)17-11)15(21)19(8-9-20)10-12-6-4-3-5-7-12/h3-7,20H,8-10H2,1-2H3
InChIKeyURRAYLKLATVIIT-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.02
Rot. Bonds5

About N-benzyl-5-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide

N-benzyl-5-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 78839583) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-benzyl-5-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID78839583
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-benzyl-5-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(Cl)c1C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C15H18ClN3O2/c1-11-13(14(16)18(2)17-11)15(21)19(8-9-20)10-12-6-4-3-5-7-12/h3-7,20H,8-10H2,1-2H3
InChIKeyURRAYLKLATVIIT-UHFFFAOYSA-N
XLogP2.02
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-carboxamide
CID 78798376
N,1-dibenzyl-5-chloro-N-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide
CID 134028333
N-benzyl-N-(2-hydroxyethyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111565388
N-benzyl-2-chloro-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide
CID 18387292
1-benzyl-5-chloro-N,N-diethyl-3-methylpyrazole-4-carboxamide
CID 78777237
N-benzyl-N-(2-hydroxyethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 78795967
N-benzyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110020225
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 5-chloro-1,3-dimethylpyrazole-4-carboxylate
CID 46693554
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 5-chloro-1,3-dimethylpyrazole-4-carboxylate
CID 46693511
N-benzyl-1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 110682735
N-benzyl-N-(2-hydroxyethyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 78855200
N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 110886514

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-benzyl-5-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide (CID 78839583) is N-benzyl-5-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-5-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-5-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)c(Cl)c1C(=O)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-5-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is URRAYLKLATVIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-11-13(14(16)18(2)17-11)15(21)19(8-9-20)10-12-6-4-3-5-7-12/h3-7,20H,8-10H2,1-2H3.
What are the key properties of N-benzyl-5-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide?
N-benzyl-5-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 307.78 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 78839583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).