5-(4-bromophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazolidine-3-carboxamide

C16H20BrN5O — CID 134041468

IUPAC5-(4-bromophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazolidine-3-carboxamide
SMILESCC(C)n1nccc1NC(=O)C1CC(c2ccc(Br)cc2)NN1
InChIInChI=1S/C16H20BrN5O/c1-10(2)22-15(7-8-18-22)19-16(23)14-9-13(20-21-14)11-3-5-12(17)6-4-11/h3-8,10,13-14,20-21H,9H2,1-2H3,(H,19,23)
InChIKeyDYKNKMVXALNDFF-UHFFFAOYSA-N
MW378.27 g/mol
LogP2.77
Rot. Bonds4

About 5-(4-bromophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazolidine-3-carboxamide

5-(4-bromophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazolidine-3-carboxamide (PubChem CID 134041468) has the molecular formula C16H20BrN5O and a molecular weight of 378.27 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazolidine-3-carboxamide
PubChem CID134041468
Molecular FormulaC16H20BrN5O
Molecular Weight378.27 g/mol
Exact Mass377.09
IUPAC Name5-(4-bromophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazolidine-3-carboxamide
SMILESCC(C)n1nccc1NC(=O)C1CC(c2ccc(Br)cc2)NN1
InChIInChI=1S/C16H20BrN5O/c1-10(2)22-15(7-8-18-22)19-16(23)14-9-13(20-21-14)11-3-5-12(17)6-4-11/h3-8,10,13-14,20-21H,9H2,1-2H3,(H,19,23)
InChIKeyDYKNKMVXALNDFF-UHFFFAOYSA-N
XLogP2.77
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazolidine-3-carboxamide (CID 134041468) is 5-(4-bromophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazolidine-3-carboxamide is CC(C)n1nccc1NC(=O)C1CC(c2ccc(Br)cc2)NN1.
What is the InChIKey of 5-(4-bromophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazolidine-3-carboxamide?
The InChIKey is DYKNKMVXALNDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN5O/c1-10(2)22-15(7-8-18-22)19-16(23)14-9-13(20-21-14)11-3-5-12(17)6-4-11/h3-8,10,13-14,20-21H,9H2,1-2H3,(H,19,23).
What are the key properties of 5-(4-bromophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazolidine-3-carboxamide?
5-(4-bromophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazolidine-3-carboxamide has a molecular weight of 378.27 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 134041468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).