N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide

C20H28N4O2 — CID 59174009

IUPACN-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
SMILESCC(C)Oc1ccc(-c2cc(NC(=O)CCCN3CCCC3)n[nH]2)cc1
InChIInChI=1S/C20H28N4O2/c1-15(2)26-17-9-7-16(8-10-17)18-14-19(23-22-18)21-20(25)6-5-13-24-11-3-4-12-24/h7-10,14-15H,3-6,11-13H2,1-2H3,(H2,21,22,23,25)
InChIKeyVHKUIIHBZRVNOA-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.68
Rot. Bonds8

About N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide

N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide (PubChem CID 59174009) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
PubChem CID59174009
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
SMILESCC(C)Oc1ccc(-c2cc(NC(=O)CCCN3CCCC3)n[nH]2)cc1
InChIInChI=1S/C20H28N4O2/c1-15(2)26-17-9-7-16(8-10-17)18-14-19(23-22-18)21-20(25)6-5-13-24-11-3-4-12-24/h7-10,14-15H,3-6,11-13H2,1-2H3,(H2,21,22,23,25)
InChIKeyVHKUIIHBZRVNOA-UHFFFAOYSA-N
XLogP3.68
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide (CID 59174009) is N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide is CC(C)Oc1ccc(-c2cc(NC(=O)CCCN3CCCC3)n[nH]2)cc1.
What is the InChIKey of N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
The InChIKey is VHKUIIHBZRVNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15(2)26-17-9-7-16(8-10-17)18-14-19(23-22-18)21-20(25)6-5-13-24-11-3-4-12-24/h7-10,14-15H,3-6,11-13H2,1-2H3,(H2,21,22,23,25).
What are the key properties of N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide has a molecular weight of 356.47 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 59174009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).