N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylbutanamide

C10H16ClN3O — CID 19460723

IUPACN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)Cc1c(Cl)cnn1C
InChIInChI=1S/C10H16ClN3O/c1-4-5-10(15)13(2)7-9-8(11)6-12-14(9)3/h6H,4-5,7H2,1-3H3
InChIKeyPZIWPMCJWCJLLY-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.83
Rot. Bonds4

About N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylbutanamide

N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylbutanamide (PubChem CID 19460723) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylbutanamide.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylbutanamide
PubChem CID19460723
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC NameN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)Cc1c(Cl)cnn1C
InChIInChI=1S/C10H16ClN3O/c1-4-5-10(15)13(2)7-9-8(11)6-12-14(9)3/h6H,4-5,7H2,1-3H3
InChIKeyPZIWPMCJWCJLLY-UHFFFAOYSA-N
XLogP1.83
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19460615
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19460602
4-chloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 19278145
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylbenzamide
CID 19460736
2-(benzotriazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylacetamide
CID 19460563
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloropyrazol-1-yl)-N-methylpropanamide
CID 19458490
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-2-(3-nitropyrazol-1-yl)acetamide
CID 19460595
2-(4-bromopyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide
CID 19460696
(E)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(4-fluorophenyl)-N-methylprop-2-enamide
CID 19460508
1-[3-[(4-chloro-1-ethylpyrazol-5-yl)methyl-methylamino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470790
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide
CID 19458493
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(difluoromethyl)-N-methylpyrazole-3-carboxamide
CID 19478714

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylbutanamide?
The IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylbutanamide (CID 19460723) is N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylbutanamide.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylbutanamide?
The canonical SMILES for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylbutanamide is CCCC(=O)N(C)Cc1c(Cl)cnn1C.
What is the InChIKey of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylbutanamide?
The InChIKey is PZIWPMCJWCJLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-4-5-10(15)13(2)7-9-8(11)6-12-14(9)3/h6H,4-5,7H2,1-3H3.
What are the key properties of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylbutanamide?
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylbutanamide has a molecular weight of 229.71 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylbutanamide is sourced from PubChem (CID 19460723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).