N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide

C13H19N5O — CID 19526458

IUPACN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCCn1ncc(CNC(=O)Cn2cc(C)cn2)c1C
InChIInChI=1S/C13H19N5O/c1-4-18-11(3)12(7-16-18)6-14-13(19)9-17-8-10(2)5-15-17/h5,7-8H,4,6,9H2,1-3H3,(H,14,19)
InChIKeyNYQIQUCVFIKXHG-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.03
Rot. Bonds5

About N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide (PubChem CID 19526458) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide
PubChem CID19526458
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCCn1ncc(CNC(=O)Cn2cc(C)cn2)c1C
InChIInChI=1S/C13H19N5O/c1-4-18-11(3)12(7-16-18)6-14-13(19)9-17-8-10(2)5-15-17/h5,7-8H,4,6,9H2,1-3H3,(H,14,19)
InChIKeyNYQIQUCVFIKXHG-UHFFFAOYSA-N
XLogP1.03
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622343
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]butanamide
CID 19290534
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]acetamide
CID 19525481
N-butyl-2-(4-methylpyrazol-1-yl)acetamide
CID 19526650
4-chloro-1-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19477226
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]acetamide
CID 19520306
3-(4-bromopyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methylpropanamide
CID 19564640
4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide
CID 19290546
N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526602
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-naphthalen-2-yloxyacetamide
CID 19290341
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19489194
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]acetamide
CID 19519711

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide (CID 19526458) is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide is CCn1ncc(CNC(=O)Cn2cc(C)cn2)c1C.
What is the InChIKey of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide?
The InChIKey is NYQIQUCVFIKXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-18-11(3)12(7-16-18)6-14-13(19)9-17-8-10(2)5-15-17/h5,7-8H,4,6,9H2,1-3H3,(H,14,19).
What are the key properties of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide?
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide has a molecular weight of 261.33 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 19526458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).