[4-(4-bromopyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C19H23BrN4O — CID 56543013

IUPAC[4-(4-bromopyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(-n2cc(Br)cn2)cc1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C19H23BrN4O/c20-16-13-21-24(14-16)18-5-3-15(4-6-18)19(25)23-11-7-17(8-12-23)22-9-1-2-10-22/h3-6,13-14,17H,1-2,7-12H2
InChIKeyUZJYMYJCLZUVFQ-UHFFFAOYSA-N
MW403.32 g/mol
LogP3.34
Rot. Bonds3

About [4-(4-bromopyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

[4-(4-bromopyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 56543013) has the molecular formula C19H23BrN4O and a molecular weight of 403.32 g/mol. Its IUPAC name is [4-(4-bromopyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-bromopyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID56543013
Molecular FormulaC19H23BrN4O
Molecular Weight403.32 g/mol
Exact Mass402.11
IUPAC Name[4-(4-bromopyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(-n2cc(Br)cn2)cc1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C19H23BrN4O/c20-16-13-21-24(14-16)18-5-3-15(4-6-18)19(25)23-11-7-17(8-12-23)22-9-1-2-10-22/h3-6,13-14,17H,1-2,7-12H2
InChIKeyUZJYMYJCLZUVFQ-UHFFFAOYSA-N
XLogP3.34
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-bromopyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [4-(4-bromopyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 56543013) is [4-(4-bromopyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(4-bromopyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(4-bromopyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CCC(N2CCCC2)CC1.
What is the InChIKey of [4-(4-bromopyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is UZJYMYJCLZUVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O/c20-16-13-21-24(14-16)18-5-3-15(4-6-18)19(25)23-11-7-17(8-12-23)22-9-1-2-10-22/h3-6,13-14,17H,1-2,7-12H2.
What are the key properties of [4-(4-bromopyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
[4-(4-bromopyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 403.32 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromopyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 56543013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).