N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-2-(3-methylpyrazol-1-yl)propanamide

C14H20ClN5O — CID 19536035

IUPACN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-2-(3-methylpyrazol-1-yl)propanamide
SMILESCCn1cc(Cl)c(CN(C)C(=O)C(C)n2ccc(C)n2)n1
InChIInChI=1S/C14H20ClN5O/c1-5-19-8-12(15)13(17-19)9-18(4)14(21)11(3)20-7-6-10(2)16-20/h6-8,11H,5,9H2,1-4H3
InChIKeyLWZKPWLQQDBZHG-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.28
Rot. Bonds5

About N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-2-(3-methylpyrazol-1-yl)propanamide

N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-2-(3-methylpyrazol-1-yl)propanamide (PubChem CID 19536035) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-2-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-2-(3-methylpyrazol-1-yl)propanamide
PubChem CID19536035
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC NameN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-2-(3-methylpyrazol-1-yl)propanamide
SMILESCCn1cc(Cl)c(CN(C)C(=O)C(C)n2ccc(C)n2)n1
InChIInChI=1S/C14H20ClN5O/c1-5-19-8-12(15)13(17-19)9-18(4)14(21)11(3)20-7-6-10(2)16-20/h6-8,11H,5,9H2,1-4H3
InChIKeyLWZKPWLQQDBZHG-UHFFFAOYSA-N
XLogP2.28
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methylpropanamide
CID 19536059
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methylpropanamide
CID 19535955
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-2-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19536077
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,3-dimethylbenzamide
CID 19450031
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide
CID 19536054
4-chloro-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 19278138
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(5-methylpyrazol-1-yl)propanamide
CID 19558355
3-butyl-1-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-methylurea
CID 19456266
3-butan-2-yl-1-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-methylthiourea
CID 19456080
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,5-trimethylpyrazole-4-carboxamide
CID 19477826
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide
CID 19450044
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide
CID 19540196

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-2-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-2-(3-methylpyrazol-1-yl)propanamide (CID 19536035) is N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-2-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-2-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-2-(3-methylpyrazol-1-yl)propanamide is CCn1cc(Cl)c(CN(C)C(=O)C(C)n2ccc(C)n2)n1.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-2-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is LWZKPWLQQDBZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5O/c1-5-19-8-12(15)13(17-19)9-18(4)14(21)11(3)20-7-6-10(2)16-20/h6-8,11H,5,9H2,1-4H3.
What are the key properties of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-2-(3-methylpyrazol-1-yl)propanamide?
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-2-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 309.80 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-2-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19536035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).