2-(4-cyclopropylpyrazol-1-yl)-N-(4-pyrimidin-4-yloxyphenyl)acetamide

C18H17N5O2 — CID 166397651

IUPAC2-(4-cyclopropylpyrazol-1-yl)-N-(4-pyrimidin-4-yloxyphenyl)acetamide
SMILESO=C(Cn1cc(C2CC2)cn1)Nc1ccc(Oc2ccncn2)cc1
InChIInChI=1S/C18H17N5O2/c24-17(11-23-10-14(9-21-23)13-1-2-13)22-15-3-5-16(6-4-15)25-18-7-8-19-12-20-18/h3-10,12-13H,1-2,11H2,(H,22,24)
InChIKeyDXPDIZFFUKDGJR-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.98
Rot. Bonds6

About 2-(4-cyclopropylpyrazol-1-yl)-N-(4-pyrimidin-4-yloxyphenyl)acetamide

2-(4-cyclopropylpyrazol-1-yl)-N-(4-pyrimidin-4-yloxyphenyl)acetamide (PubChem CID 166397651) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-(4-cyclopropylpyrazol-1-yl)-N-(4-pyrimidin-4-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-cyclopropylpyrazol-1-yl)-N-(4-pyrimidin-4-yloxyphenyl)acetamide
PubChem CID166397651
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name2-(4-cyclopropylpyrazol-1-yl)-N-(4-pyrimidin-4-yloxyphenyl)acetamide
SMILESO=C(Cn1cc(C2CC2)cn1)Nc1ccc(Oc2ccncn2)cc1
InChIInChI=1S/C18H17N5O2/c24-17(11-23-10-14(9-21-23)13-1-2-13)22-15-3-5-16(6-4-15)25-18-7-8-19-12-20-18/h3-10,12-13H,1-2,11H2,(H,22,24)
InChIKeyDXPDIZFFUKDGJR-UHFFFAOYSA-N
XLogP2.98
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]benzoic acid
CID 146135721
1-(4-methoxyphenyl)-3-(4-pyrimidin-4-yloxyphenyl)urea
CID 58930976
N-[6-(4-chlorophenoxy)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 51093159
tert-butyl N-(4-pyrimidin-4-yloxyphenyl)carbamate
CID 133058698
N-(4-pyrimidin-4-yloxyphenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide
CID 155959198
3-(3-but-3-ynyldiazirin-3-yl)-N-(4-pyrimidin-4-yloxyphenyl)propanamide
CID 166409456
2-(4-aminopyrazol-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 43445275
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(4-pyrimidin-4-yloxyphenyl)urea
CID 25231150
N-(4-phenoxyphenyl)-2-[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]acetamide
CID 119039409
cis-(1R,2S)-2-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 136583479
1-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea
CID 166256153
2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]pyrazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 49214142

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylpyrazol-1-yl)-N-(4-pyrimidin-4-yloxyphenyl)acetamide?
The IUPAC name of 2-(4-cyclopropylpyrazol-1-yl)-N-(4-pyrimidin-4-yloxyphenyl)acetamide (CID 166397651) is 2-(4-cyclopropylpyrazol-1-yl)-N-(4-pyrimidin-4-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(4-cyclopropylpyrazol-1-yl)-N-(4-pyrimidin-4-yloxyphenyl)acetamide?
The canonical SMILES for 2-(4-cyclopropylpyrazol-1-yl)-N-(4-pyrimidin-4-yloxyphenyl)acetamide is O=C(Cn1cc(C2CC2)cn1)Nc1ccc(Oc2ccncn2)cc1.
What is the InChIKey of 2-(4-cyclopropylpyrazol-1-yl)-N-(4-pyrimidin-4-yloxyphenyl)acetamide?
The InChIKey is DXPDIZFFUKDGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c24-17(11-23-10-14(9-21-23)13-1-2-13)22-15-3-5-16(6-4-15)25-18-7-8-19-12-20-18/h3-10,12-13H,1-2,11H2,(H,22,24).
What are the key properties of 2-(4-cyclopropylpyrazol-1-yl)-N-(4-pyrimidin-4-yloxyphenyl)acetamide?
2-(4-cyclopropylpyrazol-1-yl)-N-(4-pyrimidin-4-yloxyphenyl)acetamide has a molecular weight of 335.37 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylpyrazol-1-yl)-N-(4-pyrimidin-4-yloxyphenyl)acetamide is sourced from PubChem (CID 166397651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).