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

C8H12ClN3O2 — CID 19476931

IUPAC4-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NCCO)c1Cl
InChIInChI=1S/C8H12ClN3O2/c1-5-6(9)7(12(2)11-5)8(14)10-3-4-13/h13H,3-4H2,1-2H3,(H,10,14)
InChIKeyANXHFDDTVZOJNK-UHFFFAOYSA-N
MW217.66 g/mol
LogP0.10
Rot. Bonds3

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

4-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 19476931) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 4-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide
PubChem CID19476931
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name4-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NCCO)c1Cl
InChIInChI=1S/C8H12ClN3O2/c1-5-6(9)7(12(2)11-5)8(14)10-3-4-13/h13H,3-4H2,1-2H3,(H,10,14)
InChIKeyANXHFDDTVZOJNK-UHFFFAOYSA-N
XLogP0.10
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-hexyl-1,3-dimethylpyrazole-5-carboxamide
CID 19476881
4-bromo-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19480388
4-chloro-N-(3-ethoxypropyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19477120
4-chloro-N-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481557
4-chloro-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide
CID 4772684
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(methylamino)ethanone
CID 83831960
4-chloro-1,3-dimethylpyrazole-5-carboxylate
CID 4744006
1-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-3-methylthiourea
CID 843640
4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19506699
4-chloro-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 17020877
N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-4-chloro-1,3-dimethylpyrazole-5-carboxamide
CID 99937090
4-chloro-1,3-dimethyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]pyrazole-5-carboxamide
CID 28559619

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide (CID 19476931) is 4-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)NCCO)c1Cl.
What is the InChIKey of 4-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is ANXHFDDTVZOJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2/c1-5-6(9)7(12(2)11-5)8(14)10-3-4-13/h13H,3-4H2,1-2H3,(H,10,14).
What are the key properties of 4-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide?
4-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 217.66 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 19476931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).