N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopropanecarboxamide

C18H17N5O2 — CID 122310015

IUPACN-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopropanecarboxamide
SMILESCc1nc(Oc2ccc(NC(=O)C3CC3)cc2)cc(-n2cccn2)n1
InChIInChI=1S/C18H17N5O2/c1-12-20-16(23-10-2-9-19-23)11-17(21-12)25-15-7-5-14(6-8-15)22-18(24)13-3-4-13/h2,5-11,13H,3-4H2,1H3,(H,22,24)
InChIKeyRRDFPZXFHHYVRY-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.11
Rot. Bonds5

About N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopropanecarboxamide

N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopropanecarboxamide (PubChem CID 122310015) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopropanecarboxamide
PubChem CID122310015
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopropanecarboxamide
SMILESCc1nc(Oc2ccc(NC(=O)C3CC3)cc2)cc(-n2cccn2)n1
InChIInChI=1S/C18H17N5O2/c1-12-20-16(23-10-2-9-19-23)11-17(21-12)25-15-7-5-14(6-8-15)22-18(24)13-3-4-13/h2,5-11,13H,3-4H2,1H3,(H,22,24)
InChIKeyRRDFPZXFHHYVRY-UHFFFAOYSA-N
XLogP3.11
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 122310016
3-cyclopentyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide
CID 122310132
1-(3,5-dimethylphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122310044
1-(4-ethoxyphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122310042
4-fluoro-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309974
2-(4-methylphenoxy)-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122310144
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]cyclopentanecarboxamide
CID 122312977
4-bromo-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122310307
1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122310300
N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]cyclobutanecarboxamide
CID 122304831
N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-phenylbutanamide
CID 122310017
3,5-dimethyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-1,2-oxazole-4-carboxamide
CID 122310186

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopropanecarboxamide (CID 122310015) is N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopropanecarboxamide is Cc1nc(Oc2ccc(NC(=O)C3CC3)cc2)cc(-n2cccn2)n1.
What is the InChIKey of N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopropanecarboxamide?
The InChIKey is RRDFPZXFHHYVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-12-20-16(23-10-2-9-19-23)11-17(21-12)25-15-7-5-14(6-8-15)22-18(24)13-3-4-13/h2,5-11,13H,3-4H2,1H3,(H,22,24).
What are the key properties of N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopropanecarboxamide?
N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopropanecarboxamide has a molecular weight of 335.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 122310015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).