N-methyl-2-[4-(1-pyridin-4-ylethylamino)pyrazol-1-yl]acetamide

C13H17N5O — CID 54866547

IUPACN-methyl-2-[4-(1-pyridin-4-ylethylamino)pyrazol-1-yl]acetamide
SMILESCNC(=O)Cn1cc(NC(C)c2ccncc2)cn1
InChIInChI=1S/C13H17N5O/c1-10(11-3-5-15-6-4-11)17-12-7-16-18(8-12)9-13(19)14-2/h3-8,10,17H,9H2,1-2H3,(H,14,19)
InChIKeyPYTLWPFRIXHHQQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.20
Rot. Bonds5

About N-methyl-2-[4-(1-pyridin-4-ylethylamino)pyrazol-1-yl]acetamide

N-methyl-2-[4-(1-pyridin-4-ylethylamino)pyrazol-1-yl]acetamide (PubChem CID 54866547) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-methyl-2-[4-(1-pyridin-4-ylethylamino)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(1-pyridin-4-ylethylamino)pyrazol-1-yl]acetamide
PubChem CID54866547
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-methyl-2-[4-(1-pyridin-4-ylethylamino)pyrazol-1-yl]acetamide
SMILESCNC(=O)Cn1cc(NC(C)c2ccncc2)cn1
InChIInChI=1S/C13H17N5O/c1-10(11-3-5-15-6-4-11)17-12-7-16-18(8-12)9-13(19)14-2/h3-8,10,17H,9H2,1-2H3,(H,14,19)
InChIKeyPYTLWPFRIXHHQQ-UHFFFAOYSA-N
XLogP1.20
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[1-(4-hydroxyphenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide
CID 60932192
2-[4-[1-(4-bromophenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide
CID 60931333
N-cyclopropyl-2-[4-(1-pyridin-4-ylethylamino)pyrazol-1-yl]acetamide
CID 60931706
N-methyl-2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide
CID 60932420
2-[4-[1-(5-ethylthiophen-2-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide
CID 61334554
2-[4-(3-methoxybutan-2-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 113354708
2-[4-(1-methoxypropan-2-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 62534727
2-[4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrazol-1-yl]-N-methylacetamide
CID 63752931
N-methyl-2-[4-[1-(1-methylcyclopropyl)ethylamino]pyrazol-1-yl]acetamide
CID 54866432
1-(1-ethylpyrazol-4-yl)-3-(1-pyridin-4-ylethyl)urea
CID 47200410
2-[4-[1-(3,4-difluorophenyl)ethylamino]pyrazol-1-yl]acetamide
CID 43695171
methyl 2-(3,5-dichlorophenyl)-2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]acetate
CID 166214329

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(1-pyridin-4-ylethylamino)pyrazol-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-(1-pyridin-4-ylethylamino)pyrazol-1-yl]acetamide (CID 54866547) is N-methyl-2-[4-(1-pyridin-4-ylethylamino)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-(1-pyridin-4-ylethylamino)pyrazol-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-(1-pyridin-4-ylethylamino)pyrazol-1-yl]acetamide is CNC(=O)Cn1cc(NC(C)c2ccncc2)cn1.
What is the InChIKey of N-methyl-2-[4-(1-pyridin-4-ylethylamino)pyrazol-1-yl]acetamide?
The InChIKey is PYTLWPFRIXHHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-10(11-3-5-15-6-4-11)17-12-7-16-18(8-12)9-13(19)14-2/h3-8,10,17H,9H2,1-2H3,(H,14,19).
What are the key properties of N-methyl-2-[4-(1-pyridin-4-ylethylamino)pyrazol-1-yl]acetamide?
N-methyl-2-[4-(1-pyridin-4-ylethylamino)pyrazol-1-yl]acetamide has a molecular weight of 259.31 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(1-pyridin-4-ylethylamino)pyrazol-1-yl]acetamide is sourced from PubChem (CID 54866547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).