N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-5-methyl-1-propylpyrazole-4-carboxamide

C20H27N3O2 — CID 91781993

IUPACN-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-5-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NC(Cc2ccccc2)C2CC(O)C2)c1C
InChIInChI=1S/C20H27N3O2/c1-3-9-23-14(2)18(13-21-23)20(25)22-19(16-11-17(24)12-16)10-15-7-5-4-6-8-15/h4-8,13,16-17,19,24H,3,9-12H2,1-2H3,(H,22,25)
InChIKeyOIZSBPXJYOQNJV-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.71
Rot. Bonds7

About N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-5-methyl-1-propylpyrazole-4-carboxamide

N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-5-methyl-1-propylpyrazole-4-carboxamide (PubChem CID 91781993) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-5-methyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-5-methyl-1-propylpyrazole-4-carboxamide
PubChem CID91781993
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-5-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NC(Cc2ccccc2)C2CC(O)C2)c1C
InChIInChI=1S/C20H27N3O2/c1-3-9-23-14(2)18(13-21-23)20(25)22-19(16-11-17(24)12-16)10-15-7-5-4-6-8-15/h4-8,13,16-17,19,24H,3,9-12H2,1-2H3,(H,22,25)
InChIKeyOIZSBPXJYOQNJV-UHFFFAOYSA-N
XLogP2.71
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-5-methyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-5-methyl-1-propylpyrazole-4-carboxamide (CID 91781993) is N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-5-methyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-5-methyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-5-methyl-1-propylpyrazole-4-carboxamide is CCCn1ncc(C(=O)NC(Cc2ccccc2)C2CC(O)C2)c1C.
What is the InChIKey of N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-5-methyl-1-propylpyrazole-4-carboxamide?
The InChIKey is OIZSBPXJYOQNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-9-23-14(2)18(13-21-23)20(25)22-19(16-11-17(24)12-16)10-15-7-5-4-6-8-15/h4-8,13,16-17,19,24H,3,9-12H2,1-2H3,(H,22,25).
What are the key properties of N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-5-methyl-1-propylpyrazole-4-carboxamide?
N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-5-methyl-1-propylpyrazole-4-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-5-methyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 91781993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).