N-[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-2-(3-hydroxyphenyl)-2-methylpropanamide

C20H27N3O2 — CID 164636386

IUPACN-[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-2-(3-hydroxyphenyl)-2-methylpropanamide
SMILESCC[C@H](C)n1ncc(NC(=O)C(C)(C)c2cccc(O)c2)c1C1CC1
InChIInChI=1S/C20H27N3O2/c1-5-13(2)23-18(14-9-10-14)17(12-21-23)22-19(25)20(3,4)15-7-6-8-16(24)11-15/h6-8,11-14,24H,5,9-10H2,1-4H3,(H,22,25)/t13-/m0/s1
InChIKeyFPDZQGHLULLVIP-ZDUSSCGKSA-N
MW341.46 g/mol
LogP4.35
Rot. Bonds6

About N-[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-2-(3-hydroxyphenyl)-2-methylpropanamide

N-[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-2-(3-hydroxyphenyl)-2-methylpropanamide (PubChem CID 164636386) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-2-(3-hydroxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-2-(3-hydroxyphenyl)-2-methylpropanamide
PubChem CID164636386
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-2-(3-hydroxyphenyl)-2-methylpropanamide
SMILESCC[C@H](C)n1ncc(NC(=O)C(C)(C)c2cccc(O)c2)c1C1CC1
InChIInChI=1S/C20H27N3O2/c1-5-13(2)23-18(14-9-10-14)17(12-21-23)22-19(25)20(3,4)15-7-6-8-16(24)11-15/h6-8,11-14,24H,5,9-10H2,1-4H3,(H,22,25)/t13-/m0/s1
InChIKeyFPDZQGHLULLVIP-ZDUSSCGKSA-N
XLogP4.35
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-2-(3-hydroxyphenyl)-2-methylpropanamide?
The IUPAC name of N-[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-2-(3-hydroxyphenyl)-2-methylpropanamide (CID 164636386) is N-[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-2-(3-hydroxyphenyl)-2-methylpropanamide.
What is the SMILES notation for N-[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-2-(3-hydroxyphenyl)-2-methylpropanamide?
The canonical SMILES for N-[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-2-(3-hydroxyphenyl)-2-methylpropanamide is CC[C@H](C)n1ncc(NC(=O)C(C)(C)c2cccc(O)c2)c1C1CC1.
What is the InChIKey of N-[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-2-(3-hydroxyphenyl)-2-methylpropanamide?
The InChIKey is FPDZQGHLULLVIP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-5-13(2)23-18(14-9-10-14)17(12-21-23)22-19(25)20(3,4)15-7-6-8-16(24)11-15/h6-8,11-14,24H,5,9-10H2,1-4H3,(H,22,25)/t13-/m0/s1.
What are the key properties of N-[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-2-(3-hydroxyphenyl)-2-methylpropanamide?
N-[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-2-(3-hydroxyphenyl)-2-methylpropanamide has a molecular weight of 341.46 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-2-(3-hydroxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 164636386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).